Molecule FYI-1006905

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A

Molecule Summary:

ID: FYI-1006905
Names:
InChIKey: SNEAPXILYVCZFK-UHFFFAOYSA-N
SMILES: Cc2cc(O)c1c(C)ccc(C(C)C)c1c2

Received at FYIcenter.com on: 2024-01-22

Molecule ID: FYI-1006905 Edit

Molecule Structure InChIKey: SNEAPXILYVCZFK-UHFFFAOYSA-N

Molecule Structure SMILES String: Cc2cc(O)c1c(C)ccc(C(C)C)c1c2

Download SDF Download SVG Structure in 2D SDF:

FYI-1006905
FYIcenter.com

 34 35  0  0  0  0  0  0  0  0999 V2000
    5.9990    1.3854    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5994    5.5416    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3996    6.2343    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5994    4.1562    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7992    3.4635    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9990    4.1562    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7992    6.2343    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6493    3.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3996    7.6197    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3996    4.8489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9990    5.5416    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7992    2.0781    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3996    2.0781    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5994    1.3854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1988    3.4635    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1998    1.3854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1998    5.5416    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7992    7.6197    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1998    4.1562    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0142    7.6197    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3996    9.0051    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7850    7.6197    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0386    4.8489    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1809    3.2570    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0142    4.8489    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1988    6.2343    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5994    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8915    4.6633    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3986    2.7708    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5061    2.2637    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8925    0.1856    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.6927    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5071    2.5852    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9990    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 12  1  0  0  0  0
  1 34  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  2  0  0  0  0
  2  7  1  0  0  0  0
  3  9  1  0  0  0  0
  3 10  1  0  0  0  0
  3 17  1  0  0  0  0
  4  5  1  0  0  0  0
  4  8  1  0  0  0  0
  5  6  2  0  0  0  0
  5 12  1  0  0  0  0
  6 11  1  0  0  0  0
  6 15  1  0  0  0  0
  7 11  2  0  0  0  0
  7 18  1  0  0  0  0
  8 13  2  0  0  0  0
  8 19  1  0  0  0  0
  9 20  1  0  0  0  0
  9 21  1  0  0  0  0
  9 22  1  0  0  0  0
 10 23  1  0  0  0  0
 10 24  1  0  0  0  0
 10 25  1  0  0  0  0
 11 26  1  0  0  0  0
 12 14  2  0  0  0  0
 13 14  1  0  0  0  0
 13 16  1  0  0  0  0
 14 27  1  0  0  0  0
 15 28  1  0  0  0  0
 15 29  1  0  0  0  0
 15 30  1  0  0  0  0
 16 31  1  0  0  0  0
 16 32  1  0  0  0  0
 16 33  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1006905-3D
FYIcenter.com

 34 35  0     0  0  0  0  0  0999 V2000
   -3.2529    1.0301    0.0011 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5319    0.1352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6907   -0.8131    0.0002 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2012   -0.3139   -0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8493    0.6344   -0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5384    2.0039   -0.0002 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8225    1.4997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1098   -1.6835   -0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5605   -0.6702    1.2606 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5609   -0.6706   -1.2602 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7894    2.4323   -0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1801    0.1852   -0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4376   -2.1119   -0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4707   -1.1793   -0.0002 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5678    3.0920   -0.0005 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7505   -3.5703   -0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3884   -1.8584    0.0002 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8460    1.8641    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6351   -2.4693    0.0021 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0531    0.3064    1.3166 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3455   -1.4346    1.2741 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9567   -0.7950    2.1664 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9572   -0.7958   -2.1661 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3458   -1.4350   -1.2733 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0533    0.3059   -1.3163 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0427    3.4894   -0.0002 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5037   -1.5199    0.0018 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1867    3.0466    0.9013 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1091    4.0881   -0.0012 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1872    3.0456   -0.9021 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7877   -3.7617   -0.2956 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1102   -4.1035   -0.7111 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5960   -3.9879    0.9999 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0784    0.5167    0.0008 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 12  1  0  0  0  0
  1 34  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  2  0  0  0  0
  2  7  1  0  0  0  0
  3  9  1  0  0  0  0
  3 10  1  0  0  0  0
  3 17  1  0  0  0  0
  4  5  1  0  0  0  0
  4  8  1  0  0  0  0
  5  6  2  0  0  0  0
  5 12  1  0  0  0  0
  6 11  1  0  0  0  0
  6 15  1  0  0  0  0
  7 11  2  0  0  0  0
  7 18  1  0  0  0  0
  8 13  2  0  0  0  0
  8 19  1  0  0  0  0
  9 20  1  0  0  0  0
  9 21  1  0  0  0  0
  9 22  1  0  0  0  0
 10 23  1  0  0  0  0
 10 24  1  0  0  0  0
 10 25  1  0  0  0  0
 11 26  1  0  0  0  0
 12 14  2  0  0  0  0
 13 14  1  0  0  0  0
 13 16  1  0  0  0  0
 14 27  1  0  0  0  0
 15 28  1  0  0  0  0
 15 29  1  0  0  0  0
 15 30  1  0  0  0  0
 16 31  1  0  0  0  0
 16 32  1  0  0  0  0
 16 33  1  0  0  0  0
M  END
$$$$

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2024-01-31, 1760👍, 0💬