Molecule FYI-1005601

Home > Molecule

A

Molecule Summary:

ID: FYI-1005601
Names:
InChIKey: BXZJBSHLEZAMOP-UHFFFAOYSA-N
SMILES: Oc3ccc(c2ccc1cc(O)ccc1c2)c(O)c3

Received at FYIcenter.com on: 2023-11-07

Molecule ID: FYI-1005601 Edit

Molecule Structure InChIKey: BXZJBSHLEZAMOP-UHFFFAOYSA-N

Molecule Structure SMILES String: Oc3ccc(c2ccc1cc(O)ccc1c2)c(O)c3

Download SDF Download SVG Structure in 2D SDF:

FYI-1005601
FYIcenter.com

 19 21  0  0  0  0  0  0  0  0999 V2000
    9.6995    7.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  3  1  0  0  0  0
  5  4  2  0  0  0  0
  6  5  1  0  0  0  0
  7  6  2  0  0  0  0
  8  7  1  0  0  0  0
  9  8  2  0  0  0  0
 10  9  1  0  0  0  0
 11 10  2  0  0  0  0
 12 11  1  0  0  0  0
 13 11  1  0  0  0  0
 14 13  2  0  0  0  0
 15 14  1  0  0  0  0
 15  9  1  0  0  0  0
 16 15  2  0  0  0  0
 16  6  1  0  0  0  0
 17  5  1  0  0  0  0
 18 17  1  0  0  0  0
 19 17  2  0  0  0  0
 19  2  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1005601-3D
FYIcenter.com

 31 33  0     0  0  0  0  0  0999 V2000
    1.9514   -0.3859   -2.2188 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9810   -0.0170    0.0057 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9374    0.4969    0.2306 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3995   -0.3146    0.1649 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8553    0.5856    0.0112 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3795   -0.7206    0.1606 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4634    0.7716    0.0155 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8312   -0.1060    0.1656 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1158   -1.5991    0.3117 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4961   -1.8023    0.3097 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7386    1.6672   -0.1381 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7714   -0.9066    0.1562 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5611   -0.1481   -1.0223 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4811    0.1391    1.3752 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6342    0.1795    0.0070 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1189    1.4640   -0.1399 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9409    0.0548   -1.0007 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8609    0.3418    1.3969 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5908    0.2997    0.2090 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0543    1.7747   -0.0998 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5430   -2.4564    0.4286 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8768   -2.8149    0.4257 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3581    2.6799   -0.2544 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1838   -1.9077    0.2706 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9283    0.1755    2.3111 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7864    2.3135   -0.2564 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5118    0.0221   -1.9256 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3617    0.5320    2.3422 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6197   -0.3768   -2.9253 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1620   -0.9660    0.1181 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2803    0.4335   -0.6774 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 13  1  0  0  0  0
  1 29  1  0  0  0  0
  2 15  1  0  0  0  0
  2 30  1  0  0  0  0
  3 19  1  0  0  0  0
  3 31  1  0  0  0  0
  4  7  2  0  0  0  0
  4  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  5 11  1  0  0  0  0
  6 10  1  0  0  0  0
  6 12  1  0  0  0  0
  7 20  1  0  0  0  0
  8 13  2  0  0  0  0
  8 14  1  0  0  0  0
  9 10  2  0  0  0  0
  9 21  1  0  0  0  0
 10 22  1  0  0  0  0
 11 16  2  0  0  0  0
 11 23  1  0  0  0  0
 12 15  2  0  0  0  0
 12 24  1  0  0  0  0
 13 17  1  0  0  0  0
 14 18  2  0  0  0  0
 14 25  1  0  0  0  0
 15 16  1  0  0  0  0
 16 26  1  0  0  0  0
 17 19  2  0  0  0  0
 17 27  1  0  0  0  0
 18 19  1  0  0  0  0
 18 28  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-11-13, 2582👍, 0💬