butyl 8-[5,6-dicyano-4-[(Z)-hex-1-enyl]cyclohex-2-en-1-yl]octanoate

Systemtic Name: butyl 8-[5,6-dicyano-4-[(Z)-hex-1-enyl]cyclohex-2-en-1-yl]octanoate Openeye Name: butyl 8-[5,6-dicyano-4-[(Z)-hex-1-enyl]cyclohex-2-en-1-yl]octanoate CAS Name: 8-[5,6-dicyano-4-[(Z)-hex-1-enyl]-1-cyclohex-2-enyl]octanoic acid butyl ester IUPAC Name: butyl 8-[5,6-dicyano-4-[(Z)-hex-1-enyl]cyclohex-2-en-1-yl]octanoate Traditional Name: 8-[5,6-dicyano-4-[(Z)-hex-1-enyl]cyclohex-2-en-1-yl]caprylic acid butyl ester Formula: C26H40N2O2 MolecularWeight: 412.608

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC=CC1C=CC(C(C1C#N)C#N)CCCCCCCC(=O)OCCCC

Isomeric SMILES

CCCC/C=C\C1C=CC(C(C1C#N)C#N)CCCCCCCC(=O)OCCCC

InChI

InChI=1S/C26H40N2O2/c1-3-5-7-11-14-22-17-18-23(25(21-28)24(22)20-27)15-12-9-8-10-13-16-26(29)30-19-6-4-2/h11,14,17-18,22-25H,3-10,12-13,15-16,19H2,1-2H3/b14-11-