Molecule FYI-1001236

Home > Molecule

A

Molecule Summary:

ID: FYI-1001236
SMILES: C1(C(OC(C(C1O)O)CO)OC=2(C=CC(=CC=2)C(O[Na])=O))(O)

Received at FYIcenter.com on: 2022-04-02

Molecule ID: FYI-1001236 Edit

Molecule Structure SMILES String: C1(C(OC(C(C1O)O)CO)OC=2(C=CC(=CC=2)C(O[Na])=O))(O)

Download SDF Download SVG Structure in 2D SDF:

FYI-1001236
FYIcenter.com

 37 38  0  0  0  0  0  0  0  0999 V2000
    3.2131   -1.3724    0.0154 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8143   -0.7633    0.1417 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8015    0.5281   -0.4699 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7005    1.4652    0.1266 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1350    0.9457   -0.0004 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2320   -0.4308    0.6647 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9485   -0.3085    2.0600 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4819    0.8339   -1.3821 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5809    2.8129   -0.5878 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2752    3.3520   -0.3721 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8655   -1.6093   -0.5112 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4429   -1.2662   -0.4025 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4172   -2.0468   -1.0141 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7458   -1.7021   -0.9068 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1145   -0.5656   -0.1811 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1317    0.2163    0.4327 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8057   -0.1384    0.3247 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5364   -0.1923   -0.0639 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8897    0.9036    0.6360 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8322    1.3241    0.7363 Na  0  0  0  0  0  0  0  0  0  0  0  0
   -5.3892   -0.8729   -0.5984 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2441   -2.6388    0.6766 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4591   -1.5045   -1.0383 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5527   -0.6690    1.1956 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4506    1.5886    1.1803 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8179    1.6374    0.4927 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2367   -0.8312    0.5292 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9921   -1.1441    2.5449 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3796    0.5095   -1.5373 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3280    3.5011   -0.1926 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7444    2.6735   -1.6564 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1279    4.2079   -0.7973 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1314   -2.9247   -1.5745 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5020   -2.3087   -1.3828 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4123    1.0954    0.9939 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0458    0.4649    0.7989 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6190   -3.2844    0.3195 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  1  6  1  0  0  0  0
  6  7  1  0  0  0  0
  5  8  1  0  0  0  0
  4  9  1  0  0  0  0
  9 10  1  0  0  0  0
  2 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 12 17  2  0  0  0  0
 15 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 18 21  2  0  0  0  0
  1 22  1  0  0  0  0
  1 23  1  0  0  0  0
  2 24  1  0  0  0  0
  4 25  1  0  0  0  0
  5 26  1  0  0  0  0
  6 27  1  0  0  0  0
  7 28  1  0  0  0  0
  8 29  1  0  0  0  0
  9 30  1  0  0  0  0
  9 31  1  0  0  0  0
 10 32  1  0  0  0  0
 13 33  1  0  0  0  0
 14 34  1  0  0  0  0
 16 35  1  0  0  0  0
 17 36  1  0  0  0  0
 22 37  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1001236-3D
FYIcenter.com

 37 38  0  0  1  0  0  0  0  0999 V2000
    0.6975    1.2563   -0.4453 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.4086    0.0359    0.1866 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.7241   -1.1907   -0.0821 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6522   -1.2082    0.3196 C   0  0  3  0  0  0  0  0  0  0  0  0
   -1.4539   -0.0090   -0.2561 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.7516    1.3242    0.0668 C   0  0  3  0  0  0  0  0  0  0  0  0
   -1.4388    2.4235   -0.4791 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7954   -0.0250    0.1699 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8181   -1.4214    1.8429 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1292   -2.5733    2.2485 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5594    0.2141    1.5531 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6226    0.7025    2.2464 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7711    1.2476    1.6378 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8179    1.7470    2.4252 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7364    1.7142    3.8294 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5895    1.1701    4.4284 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5479    0.6724    3.6430 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8350    2.2493    4.6727 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7373    2.2176    6.0176 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1967    2.9530    7.1974 Na  0  0  0  0  0  0  0  0  0  0  0  0
    6.8348    2.7294    4.1611 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7414    1.2083   -1.8547 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2406    2.1768   -0.1395 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4059   -0.0443   -0.2896 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1071   -2.1116   -0.1424 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4689   -0.1177   -1.3616 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7307    1.4591    1.1700 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5379    2.2706   -1.4546 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8335    0.3477    1.0889 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8945   -1.5224    2.1092 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4576   -0.5633    2.4387 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7116   -3.3459    2.0220 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8746    1.3047    0.5639 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6892    2.1636    1.9347 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4930    1.1309    5.5061 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6701    0.2610    4.1254 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6132    0.2710   -2.1571 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  6  1  0  0  0  0
  1 22  1  0  0  0  0
  1 23  1  0  0  0  0
  2  3  1  0  0  0  0
  2 11  1  0  0  0  0
  2 24  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4  9  1  0  0  0  0
  4 25  1  0  0  0  0
  5  6  1  0  0  0  0
  5  8  1  0  0  0  0
  5 26  1  0  0  0  0
  6  7  1  0  0  0  0
  6 27  1  0  0  0  0
  7 28  1  0  0  0  0
  8 29  1  0  0  0  0
  9 10  1  0  0  0  0
  9 30  1  0  0  0  0
  9 31  1  0  0  0  0
 10 32  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 17  2  0  0  0  0
 13 14  2  0  0  0  0
 13 33  1  0  0  0  0
 14 15  1  0  0  0  0
 14 34  1  0  0  0  0
 15 16  2  0  0  0  0
 15 18  1  0  0  0  0
 16 17  1  0  0  0  0
 16 35  1  0  0  0  0
 17 36  1  0  0  0  0
 18 19  1  0  0  0  0
 18 21  2  0  0  0  0
 19 20  1  0  0  0  0
 22 37  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2022-05-15, 2125👍, 0💬