Molecule FYI-1003561

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A

Molecule Summary:

ID: FYI-1003561
Names:
InChIKey: MTDAKBBUYMYKAR-UHFFFAOYSA-N
SMILES: C/C(C)=C/CCC(C)CC#N

Received at FYIcenter.com on: 2023-07-02

Molecule ID: FYI-1003561 Edit

Molecule Structure InChIKey: MTDAKBBUYMYKAR-UHFFFAOYSA-N

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

Download SDF Download SVG Structure in 2D SDF:

FYI-1003561
FYIcenter.com

 11 10  0  0  0  0  0  0  0  0999 V2000
    7.2747    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.7000    0.0000 C   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
    1.2124    0.7000    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
    0.0000    0.0000    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    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    3.5000    0.0000 N   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  5  2  0  0  0  0
  7  6  1  0  0  0  0
  8  6  1  0  0  0  0
  9  2  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  3  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1003561-3D
FYIcenter.com

 28 27  0     1  0  0  0  0  0999 V2000
   -2.1221   -2.3377   -0.3803 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8636    1.1602    0.1144 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.3854    1.1188   -0.3283 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5961    0.9310    0.8317 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3152   -0.0657    0.9312 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7662    1.3775   -1.1067 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0177    0.9194    0.3424 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7418   -0.1480   -0.0442 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2051   -1.3347    0.1972 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1643   -0.0945   -0.5253 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1377   -1.5264   -0.0322 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9868    2.0371    0.7649 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2445    0.3177   -1.0655 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1481    2.0561   -0.8496 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3860    0.0230    1.4032 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4849    1.7583    1.5438 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3623    0.0756    1.2285 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7522   -0.1300    1.8683 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6614    0.5711   -1.8400 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5134    2.3178   -1.6084 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8185    1.4341   -0.8085 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4930    1.8980    0.2962 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2347   -0.4631   -1.5536 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5576    0.9273   -0.5083 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8058   -0.7105    0.1130 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2943   -2.0084   -1.0038 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6250   -2.1399    0.7330 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0624   -1.5527    0.1530 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  3  0  0  0  0
  2  3  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  2 12  1  0  0  0  0
  3  4  1  0  0  0  0
  3 13  1  0  0  0  0
  3 14  1  0  0  0  0
  4  7  1  0  0  0  0
  4 15  1  0  0  0  0
  4 16  1  0  0  0  0
  5  9  1  0  0  0  0
  5 17  1  0  0  0  0
  5 18  1  0  0  0  0
  6 19  1  0  0  0  0
  6 20  1  0  0  0  0
  6 21  1  0  0  0  0
  7  8  2  0  0  0  0
  7 22  1  0  0  0  0
  8 10  1  0  0  0  0
  8 11  1  0  0  0  0
 10 23  1  0  0  0  0
 10 24  1  0  0  0  0
 10 25  1  0  0  0  0
 11 26  1  0  0  0  0
 11 27  1  0  0  0  0
 11 28  1  0  0  0  0
M  END
$$$$

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2023-09-05, 2229👍, 0💬