Molecule FYI-1004365

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A

Molecule Summary:

ID: FYI-1004365
Names:
InChIKey: AJZKMOKFZZCCLC-CCEZHUSRSA-N
SMILES: O=C(O)/C(=C(CO)/c1ccccc1)c2ccccc2

Received at FYIcenter.com on: 2023-09-02

Molecule ID: FYI-1004365 Edit

Molecule Structure InChIKey: AJZKMOKFZZCCLC-CCEZHUSRSA-N

Molecule Structure SMILES String: O=C(O)/C(=C(CO)/c1ccccc1)c2ccccc2

Download SDF Download SVG Structure in 2D SDF:

FYI-1004365
FYIcenter.com

 19 20  0  0  0  0  0  0  0  0999 V2000
    1.2125    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    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
    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
    6.0622    4.9000    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
    3.6374    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.1000    0.0000 C   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
    4.8497    7.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 10 15  1  0  0  0  0
 10 11  2  0  0  0  0
  7 16  1  0  0  0  0
 16 17  1  0  0  0  0
  9 18  1  0  0  0  0
  9 19  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1004365-3D
FYIcenter.com

 33 34  0     0  0  0  0  0  0999 V2000
   -1.0202   -3.3805   -0.7998 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1717   -1.2967    0.6027 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9801   -3.0157   -0.2946 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3523   -1.3207    0.2148 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9270   -0.8799    0.1197 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4957   -0.3776    0.1448 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2608    0.5565   -0.0173 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7805   -2.7503    0.4517 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0743   -0.0734   -1.0873 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9918    0.2047    1.3111 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4722    1.3350    1.1206 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3637    1.1308   -1.2842 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0459   -1.8660    0.1093 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1491    0.8134   -1.1532 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0666    1.0913    1.2453 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7866    2.6878    0.9918 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6781    2.4836   -1.4132 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6453    1.3956    0.0131 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8895    3.2621   -0.2753 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7041   -2.7940    1.0410 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0360   -3.3253    1.0101 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6990   -0.5193   -2.0052 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5521   -0.0232    2.2791 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3958    0.9017    2.1150 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2029    0.5368   -2.1806 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5995    1.0505   -2.1126 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4530    1.5448    2.1534 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9511    3.2940    1.8778 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7583    2.9309   -2.3996 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4820    2.0861   -0.0381 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1342    4.3155   -0.3757 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3053   -4.2908   -0.6109 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9289   -1.9204    0.6024 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  1  0  0  0  0
  1 32  1  0  0  0  0
  2 13  1  0  0  0  0
  2 33  1  0  0  0  0
  3 13  2  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  4  8  1  0  0  0  0
  5  7  1  0  0  0  0
  5 13  1  0  0  0  0
  6  9  2  0  0  0  0
  6 10  1  0  0  0  0
  7 11  2  0  0  0  0
  7 12  1  0  0  0  0
  8 20  1  0  0  0  0
  8 21  1  0  0  0  0
  9 14  1  0  0  0  0
  9 22  1  0  0  0  0
 10 15  2  0  0  0  0
 10 23  1  0  0  0  0
 11 16  1  0  0  0  0
 11 24  1  0  0  0  0
 12 17  2  0  0  0  0
 12 25  1  0  0  0  0
 14 18  2  0  0  0  0
 14 26  1  0  0  0  0
 15 18  1  0  0  0  0
 15 27  1  0  0  0  0
 16 19  2  0  0  0  0
 16 28  1  0  0  0  0
 17 19  1  0  0  0  0
 17 29  1  0  0  0  0
 18 30  1  0  0  0  0
 19 31  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-09-16, 2395👍, 0💬