[2-cyano-4-(1-methylcyclohexa-2,4-dien-1-yl)phenyl] 4-(4-nonylcyclohexyl)benzoate

Systemtic Name: [2-cyano-4-(1-methylcyclohexa-2,4-dien-1-yl)phenyl] 4-(4-nonylcyclohexyl)benzoate Openeye Name: [2-cyano-4-(1-methylcyclohexa-2,4-dien-1-yl)phenyl] 4-(4-nonylcyclohexyl)benzoate CAS Name: 4-(4-nonylcyclohexyl)benzoic acid [2-cyano-4-(1-methyl-1-cyclohexa-2,4-dienyl)phenyl] ester IUPAC Name: [2-cyano-4-(1-methylcyclohexa-2,4-dien-1-yl)phenyl] 4-(4-nonylcyclohexyl)benzoate Traditional Name: 4-(4-nonylcyclohexyl)benzoic acid [2-cyano-4-(1-methylcyclohexa-2,4-dien-1-yl)phenyl] ester Formula: C36H45NO2 MolecularWeight: 523.748

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC1CCC(CC1)C2=CC=C(C=C2)C(=O)OC3=C(C=C(C=C3)C4(CC=CC=C4)C)C#N

Isomeric SMILES

CCCCCCCCCC1CCC(CC1)C2=CC=C(C=C2)C(=O)OC3=C(C=C(C=C3)C4(CC=CC=C4)C)C#N

InChI

InChI=1S/C36H45NO2/c1-3-4-5-6-7-8-10-13-28-14-16-29(17-15-28)30-18-20-31(21-19-30)35(38)39-34-23-22-33(26-32(34)27-37)36(2)24-11-9-12-25-36/h9,11-12,18-24,26,28-29H,3-8,10,13-17,25H2,1-2H3