Molecule FYI-1010079

A

Molecule Summary:

ID: FYI-1010079
Names:
InChIKey: VDPHYDSLIYDKAP-GFIWHYBVSA-N
SMILES: N#C/C(=C/c1ccc(O)c(O)c1)/C(=C/c2ccc(O)c(O)c2)NC=O

Received at FYIcenter.com on: 2024-05-28

Molecule ID: FYI-1010079 Edit

Molecule Structure InChIKey: VDPHYDSLIYDKAP-GFIWHYBVSA-N

Molecule Structure SMILES String: N#C/C(=C/c1ccc(O)c(O)c1)/C(=C/c2ccc(O)c(O)c2)NC=O

Download SDF Download SVG Structure in 2D SDF:

FYI-1010079
FYIcenter.com

 25 26  0  0  0  0  0  0  0  0999 V2000
    2.4249    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    5.6000    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
    3.6373    7.7000    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
    6.0622    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    9.1000    0.0000 N   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
    7.2747    5.6000    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
    8.4871    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    1.4000    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
    6.0622    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    5.6000    0.0000 N   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    3.5000    0.0000 O   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
    0.0000    5.6000    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  6  1  0  0  0  0
  8  7  2  0  0  0  0
  9  8  1  0  0  0  0
 10  9  3  0  0  0  0
 11  8  1  0  0  0  0
 12 11  2  0  0  0  0
 13 12  1  0  0  0  0
 14 13  2  0  0  0  0
 15 14  1  0  0  0  0
 16 15  2  0  0  0  0
 17 16  1  0  0  0  0
 18 17  2  0  0  0  0
 18 13  1  0  0  0  0
 19 16  1  0  0  0  0
 20 15  1  0  0  0  0
 21 11  1  0  0  0  0
 22 21  1  0  0  0  0
 23 22  2  0  0  0  0
 24  4  1  0  0  0  0
 25  3  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1010079-3D
FYIcenter.com

 39 40  0  0  0  0  0  0  0  0999 V2000
    1.8214   -1.8495   -0.1814 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7332   -0.9804   -0.1233 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8323    0.0672   -0.0534 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1283    0.6156    1.1449 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1453    1.6553    1.3520 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7920    3.0107    1.2560 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7749    4.0062    1.2952 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1065    3.6368    1.4358 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1189    4.5541    1.3956 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4513    2.2983    1.5993 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7612    1.9477    1.7580 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4835    1.3035    1.5660 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5077    0.3907   -1.3268 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8612    0.8969   -2.4006 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5152    1.2463   -3.6803 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6236    0.2962   -4.7109 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3446    0.5852   -5.8818 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9436    1.8259   -6.0170 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7032    2.1605   -7.1050 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7905    2.7902   -5.0197 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3684    4.0204   -5.1784 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0825    2.5100   -3.8550 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8763    0.2073   -1.3483 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.4653   -0.9345   -1.8327 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6529   -1.0124   -2.1130 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5942    0.3146    2.0438 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7509    3.2998    1.1293 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4857    5.0484    1.2045 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7600    5.3840    1.0354 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2516    2.7933    1.7292 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7856    0.2639    1.6580 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7877    1.0709   -2.3839 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1601   -0.6838   -4.6112 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4314   -0.1705   -6.6569 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8835    1.3453   -7.6085 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8134    3.9720   -6.0451 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9928    3.2813   -3.0933 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4556    1.0183   -1.5502 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7661   -1.7750   -1.9699 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  3  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3 13  1  0  0  0  0
  4  5  1  0  0  0  0
  4 26  1  0  0  0  0
  5  6  1  0  0  0  0
  5 12  2  0  0  0  0
  6  7  2  0  0  0  0
  6 27  1  0  0  0  0
  7  8  1  0  0  0  0
  7 28  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  2  0  0  0  0
  9 29  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
 11 30  1  0  0  0  0
 12 31  1  0  0  0  0
 13 14  2  0  0  0  0
 13 23  1  0  0  0  0
 14 15  1  0  0  0  0
 14 32  1  0  0  0  0
 15 16  1  0  0  0  0
 15 22  2  0  0  0  0
 16 17  2  0  0  0  0
 16 33  1  0  0  0  0
 17 18  1  0  0  0  0
 17 34  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  2  0  0  0  0
 19 35  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  1  0  0  0  0
 21 36  1  0  0  0  0
 22 37  1  0  0  0  0
 23 24  1  0  0  0  0
 23 38  1  0  0  0  0
 24 25  2  0  0  0  0
 24 39  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2024-06-03, 1045👍, 0💬