Molecule FYI-1006059

A

Molecule Summary:

ID: FYI-1006059
Names:
InChIKey: IQPNAANSBPBGFQ-UHFFFAOYSA-N
SMILES: O=c2cc(c1ccc(O)c(O)c1)oc3cc(O)cc(O)c23

Received at FYIcenter.com on: 2023-11-25

Molecule ID: FYI-1006059 Edit

Molecule Structure InChIKey: IQPNAANSBPBGFQ-UHFFFAOYSA-N

Molecule Structure SMILES String: O=c2cc(c1ccc(O)c(O)c1)oc3cc(O)cc(O)c23

Download SDF Download SVG Structure in 2D SDF:

FYI-1006059
FYIcenter.com

 21 23  0  0  0  0  0  0  0  0999 V2000
    1.2124    0.7000    0.0000 C   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
    2.4249    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2000    0.0000 O   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
    4.8498    4.2000    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
    6.0622    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373   10.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    9.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    0.0000    0.0000 O   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  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  3  2  0  0  0  0
  5  4  1  0  0  0  0
  6  5  2  0  0  0  0
  6  1  1  0  0  0  0
  7  5  1  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
 10  4  1  0  0  0  0
 11 10  2  0  0  0  0
 12  8  1  0  0  0  0
 13 12  2  0  0  0  0
 14 13  1  0  0  0  0
 15 14  2  0  0  0  0
 16 15  1  0  0  0  0
 17 16  2  0  0  0  0
 17 12  1  0  0  0  0
 18 15  1  0  0  0  0
 19 14  1  0  0  0  0
 20  3  1  0  0  0  0
 21  1  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1006059-3D
FYIcenter.com

 31 33  0     0  0  0  0  0  0999 V2000
   -0.2476    0.6707   -0.1289 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4428   -1.7292    0.2401 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1088   -2.9245    0.3293 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3876    2.9868   -0.3183 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4517    2.1826    0.8060 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0583    0.1621   -0.2227 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3175   -0.5858    0.0623 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6176    0.6095   -0.0931 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4699   -0.5085    0.0031 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9345   -0.3294   -0.0553 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5600   -1.8398    0.1934 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0884   -1.7204    0.1511 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7139   -0.5884    0.0910 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3122    1.8125   -0.2214 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5158    0.8539    0.4072 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7071    1.8143   -0.1930 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4062    0.6165   -0.0371 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7454   -1.3423   -0.5731 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8994    1.0230    0.3525 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1289   -1.1731   -0.6281 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7059    0.0095   -0.1652 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4747   -2.6391    0.2664 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7701    2.7469   -0.3431 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9060    1.6535    0.8221 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4935    0.6166   -0.0151 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3332   -2.2689   -0.9635 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7454   -1.9687   -1.0379 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8582   -2.4983    0.3215 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3420    2.8036   -0.2772 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4164    2.1272    0.6919 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4514   -0.6393   -0.6089 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  1  0  0  0  0
  1  9  1  0  0  0  0
  2 13  1  0  0  0  0
  2 28  1  0  0  0  0
  3 11  2  0  0  0  0
  4 16  1  0  0  0  0
  4 29  1  0  0  0  0
  5 19  1  0  0  0  0
  5 30  1  0  0  0  0
  6 21  1  0  0  0  0
  6 31  1  0  0  0  0
  7  8  1  0  0  0  0
  7 11  1  0  0  0  0
  7 13  2  0  0  0  0
  8 14  2  0  0  0  0
  9 10  1  0  0  0  0
  9 12  2  0  0  0  0
 10 15  2  0  0  0  0
 10 18  1  0  0  0  0
 11 12  1  0  0  0  0
 12 22  1  0  0  0  0
 13 17  1  0  0  0  0
 14 16  1  0  0  0  0
 14 23  1  0  0  0  0
 15 19  1  0  0  0  0
 15 24  1  0  0  0  0
 16 17  2  0  0  0  0
 17 25  1  0  0  0  0
 18 20  2  0  0  0  0
 18 26  1  0  0  0  0
 19 21  2  0  0  0  0
 20 21  1  0  0  0  0
 20 27  1  0  0  0  0
M  END
$$$$

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2023-12-01, 1586👍, 0💬