Molecule FYI-1004694

Home > Molecule

A

Molecule Summary:

ID: FYI-1004694
Names:
InChIKey: YHZMYDMKJLVMEP-ZEOGUJRDSA-N
SMILES: C/C(O)=C(C)\\CC(=O)CCCC/C=C/C(C)C

Received at FYIcenter.com on: 2023-09-22

Molecule ID: FYI-1004694 Edit

Molecule Structure InChIKey: YHZMYDMKJLVMEP-ZEOGUJRDSA-N

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

Download SDF Download SVG Structure in 2D SDF:

FYI-1004694
FYIcenter.com

 17 16  0  0  0  0  0  0  0  0999 V2000
   14.5492    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    1.4000    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
    6.0621    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.0000    0.0000 O   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    1.4000    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
    1.2124    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4000    0.0000 O   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
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  2  1  0  0  0  0
  5  4  2  0  0  0  0
  6  5  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  1  0  0  0  0
 11 10  2  0  0  0  0
 12 10  1  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 14  1  0  0  0  0
 17 13  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1004694-3D
FYIcenter.com

 43 42  0  0  0  0  0  0  0  0999 V2000
    3.5869   -0.4118    0.8081 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6242   -0.3311    1.9599 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6260   -1.2920    1.9848 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6791    0.5936    2.9383 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6821    0.5786    4.0756 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7710    1.6428    3.0120 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4441    2.9549    2.2961 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7189    3.1305    1.1062 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8500    4.0679    3.1372 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9804    4.8804    3.7553 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4838    6.0232    4.6328 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6803    6.7755    5.2155 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2223    7.9034    6.0829 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5322    8.0052    7.3839 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0351    9.1272    8.2557 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2073    8.5775    9.4159 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2062    9.9558    8.7756 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3384   -1.2316    0.1266 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6067   -0.5872    1.1657 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5636    0.5115    0.2227 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7120   -1.8658    1.2108 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9436   -0.2259    3.9847 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1215    1.5163    4.1113 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1877    0.4266    5.0354 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7003    1.2702    2.5653 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0322    1.8618    4.0542 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2054    3.6341    3.9080 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2174    4.6926    2.4970 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6155    5.2894    2.9589 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6192    4.2229    4.3565 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8554    5.6306    5.4433 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8584    6.7055    4.0432 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3031    7.1753    4.4065 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3067    6.0793    5.7872 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6004    8.6626    5.6117 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1676    7.2513    7.8471 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3903    9.7882    7.6630 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7990    7.9099   10.0526 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3397    8.0144    9.0532 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8348    9.3955   10.0415 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8798    9.3558    9.3976 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8423   10.7926    9.3811 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7908   10.3724    7.9477 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 18  1  0  0  0  0
  1 19  1  0  0  0  0
  1 20  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  2  0  0  0  0
  3 21  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  5 22  1  0  0  0  0
  5 23  1  0  0  0  0
  5 24  1  0  0  0  0
  6  7  1  0  0  0  0
  6 25  1  0  0  0  0
  6 26  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 27  1  0  0  0  0
  9 28  1  0  0  0  0
 10 11  1  0  0  0  0
 10 29  1  0  0  0  0
 10 30  1  0  0  0  0
 11 12  1  0  0  0  0
 11 31  1  0  0  0  0
 11 32  1  0  0  0  0
 12 13  1  0  0  0  0
 12 33  1  0  0  0  0
 12 34  1  0  0  0  0
 13 14  2  0  0  0  0
 13 35  1  0  0  0  0
 14 15  1  0  0  0  0
 14 36  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  0  0  0  0
 15 37  1  0  0  0  0
 16 38  1  0  0  0  0
 16 39  1  0  0  0  0
 16 40  1  0  0  0  0
 17 41  1  0  0  0  0
 17 42  1  0  0  0  0
 17 43  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-09-25, 1609👍, 0💬