(1-cyano-4-phenyl-cyclohexa-2,5-dien-1-yl) 4-(2-heptylphenyl)benzoate

Systemtic Name: (1-cyano-4-phenyl-cyclohexa-2,5-dien-1-yl) 4-(2-heptylphenyl)benzoate Openeye Name: (1-cyano-4-phenyl-cyclohexa-2,5-dien-1-yl) 4-(2-heptylphenyl)benzoate CAS Name: 4-(2-heptylphenyl)benzoic acid (1-cyano-4-phenyl-1-cyclohexa-2,5-dienyl) ester IUPAC Name: (1-cyano-4-phenylcyclohexa-2,5-dien-1-yl) 4-(2-heptylphenyl)benzoate Traditional Name: 4-(2-heptylphenyl)benzoic acid (1-cyano-4-phenyl-cyclohexa-2,5-dien-1-yl) ester Formula: C33H33NO2 MolecularWeight: 475.62062

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CC=CC=C1C2=CC=C(C=C2)C(=O)OC3(C=CC(C=C3)C4=CC=CC=C4)C#N

Isomeric SMILES

CCCCCCCC1=CC=CC=C1C2=CC=C(C=C2)C(=O)OC3(C=CC(C=C3)C4=CC=CC=C4)C#N

InChI

InChI=1S/C33H33NO2/c1-2-3-4-5-7-14-28-15-10-11-16-31(28)29-17-19-30(20-18-29)32(35)36-33(25-34)23-21-27(22-24-33)26-12-8-6-9-13-26/h6,8-13,15-24,27H,2-5,7,14H2,1H3