Molecule FYI-1010698

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A

Molecule Summary:

ID: FYI-1010698
Names:
InChIKey: HZXMIVDAWKVPKJ-UHFFFAOYSA-N
SMILES: CC1(C(=O)O)OC1c3ccc2OCOc2c3

Received at FYIcenter.com on: 2024-07-03

Molecule ID: FYI-1010698 Edit

Molecule Structure InChIKey: HZXMIVDAWKVPKJ-UHFFFAOYSA-N

Molecule Structure SMILES String: CC1(C(=O)O)OC1c3ccc2OCOc2c3

Download SDF Download SVG Structure in 2D SDF:

FYI-1010698
FYIcenter.com

 16 18  0  0  0  0  0  0  0  0999 V2000
    3.3669    3.3124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1543    4.0124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1543    5.4124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3669    6.1124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5793    5.4124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5793    4.0124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7917    3.3124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4917    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4917    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7042    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2793    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8229    3.5798    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1394    1.7377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1917    3.3124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8229    5.8450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.7124    0.0000 C   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  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  2  0  0  0  0
 11  9  1  0  0  0  0
 12  2  1  0  0  0  0
 13  8  1  0  0  0  0
 14  8  1  0  0  0  0
 14  7  1  0  0  0  0
 15  3  1  0  0  0  0
 16 15  1  0  0  0  0
 12 16  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1010698-3D
FYIcenter.com

 26 28  0  0  1  0  0  0  0  0999 V2000
    1.1240   -1.5487    0.6708 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5163   -0.9914    0.5382 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.4033   -1.0501    1.7420 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6851   -2.0993    2.2849 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8388    0.1583    2.1832 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5531    0.2263   -0.2264 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2119   -0.8941   -0.8373 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.6162   -1.5886   -2.0481 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8716   -2.9733   -2.2315 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3012   -3.7123   -3.2743 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4577   -3.0518   -4.1325 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7644   -3.6157   -5.1561 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0032   -2.4841   -5.6141 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3458   -1.2509   -4.9474 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2246   -1.7043   -4.0113 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8122   -0.9455   -3.0111 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7272   -1.3495    1.6723 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1334   -2.6328    0.5202 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4214   -1.1021   -0.0408 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4375    0.8915    1.6791 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2991   -0.8462   -0.8394 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5187   -3.4908   -1.5243 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4972   -4.7726   -3.3831 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0667   -2.6911   -5.4398 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1580   -2.3618   -6.6905 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6146    0.1218   -2.9646 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 17  1  0  0  0  0
  1 18  1  0  0  0  0
  1 19  1  0  0  0  0
  2  3  1  0  0  0  0
  2  6  1  0  0  0  0
  2  7  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5 20  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7 21  1  0  0  0  0
  8  9  1  0  0  0  0
  8 16  2  0  0  0  0
  9 10  2  0  0  0  0
  9 22  1  0  0  0  0
 10 11  1  0  0  0  0
 10 23  1  0  0  0  0
 11 12  1  0  0  0  0
 11 15  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 24  1  0  0  0  0
 13 25  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 26  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2024-07-25, 1711👍, 0💬