Molecule FYI-1006434

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A

Molecule Summary:

ID: FYI-1006434
Names:
InChIKey: AQIBDARJRJYHHA-UHFFFAOYSA-N
SMILES: CCC(CC)C(C)/C=C(C)\\C

Received at FYIcenter.com on: 2023-12-17

Molecule ID: FYI-1006434 Edit

Molecule Structure InChIKey: AQIBDARJRJYHHA-UHFFFAOYSA-N

Molecule Structure SMILES String: CCC(CC)C(C)/C=C(C)\C

Download SDF Download SVG Structure in 2D SDF:

FYI-1006434
FYIcenter.com

 11 10  0  0  0  0  0  0  0  0999 V2000
    7.2747    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  1  0  0  0  0
  5  4  1  0  0  0  0
  6  3  1  0  0  0  0
  7  6  1  0  0  0  0
  8  6  1  0  0  0  0
  9  8  2  0  0  0  0
 10  9  1  0  0  0  0
 11  9  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1006434-3D
FYIcenter.com

 33 32  0     1  0  0  0  0  0999 V2000
   -1.2026   -0.0352   -0.5474 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0217    0.8623   -0.1674 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.0440   -1.4576    0.0537 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5650    0.6078   -0.1867 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0455    2.2614   -0.7952 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3268    0.2291   -0.6119 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1524   -2.4295   -0.3298 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7866    0.8613    1.2983 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3787   -0.1400    0.1449 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5974   -0.7495   -0.4972 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4714   -0.0101    1.6387 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1992   -0.1508   -1.6414 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0202    0.9966    0.9172 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1057   -1.9029   -0.2960 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9710   -1.4040    1.1462 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3797   -0.0233   -0.5600 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6775    1.5559   -0.7251 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8714    2.8449   -0.3771 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8729    2.8272   -0.5989 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1825    2.2071   -1.8810 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3992    0.0694   -1.6883 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2898   -2.4615   -1.4152 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1043   -2.1602    0.1365 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8980   -3.4393    0.0089 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7425   -0.0651    1.8775 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0510    1.5615    1.7035 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7776    1.3003    1.4546 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5006   -0.8320   -1.5849 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7700   -1.7563   -0.1026 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4812   -0.1377   -0.2887 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3158    0.6338    1.9068 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5798    0.4135    2.1034 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6339   -0.9946    2.0903 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  1 12  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  2 13  1  0  0  0  0
  3  7  1  0  0  0  0
  3 14  1  0  0  0  0
  3 15  1  0  0  0  0
  4  8  1  0  0  0  0
  4 16  1  0  0  0  0
  4 17  1  0  0  0  0
  5 18  1  0  0  0  0
  5 19  1  0  0  0  0
  5 20  1  0  0  0  0
  6  9  2  0  0  0  0
  6 21  1  0  0  0  0
  7 22  1  0  0  0  0
  7 23  1  0  0  0  0
  7 24  1  0  0  0  0
  8 25  1  0  0  0  0
  8 26  1  0  0  0  0
  8 27  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
 10 28  1  0  0  0  0
 10 29  1  0  0  0  0
 10 30  1  0  0  0  0
 11 31  1  0  0  0  0
 11 32  1  0  0  0  0
 11 33  1  0  0  0  0
M  END
$$$$

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2023-12-31, 1299👍, 0💬