(1-heptyl-4-phenyl-cyclohexa-2,5-dien-1-yl) 4-(1-ethoxyethyl)benzoate

Systemtic Name: (1-heptyl-4-phenyl-cyclohexa-2,5-dien-1-yl) 4-(1-ethoxyethyl)benzoate Openeye Name: (1-heptyl-4-phenyl-cyclohexa-2,5-dien-1-yl) 4-(1-ethoxyethyl)benzoate CAS Name: 4-(1-ethoxyethyl)benzoic acid (1-heptyl-4-phenyl-1-cyclohexa-2,5-dienyl) ester IUPAC Name: (1-heptyl-4-phenylcyclohexa-2,5-dien-1-yl) 4-(1-ethoxyethyl)benzoate Traditional Name: 4-(1-ethoxyethyl)benzoic acid (1-heptyl-4-phenyl-cyclohexa-2,5-dien-1-yl) ester Formula: C30H38O3 MolecularWeight: 446.62092

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1(C=CC(C=C1)C2=CC=CC=C2)OC(=O)C3=CC=C(C=C3)C(C)OCC

Isomeric SMILES

CCCCCCCC1(C=CC(C=C1)C2=CC=CC=C2)OC(=O)C3=CC=C(C=C3)C(C)OCC

InChI

InChI=1S/C30H38O3/c1-4-6-7-8-12-21-30(22-19-27(20-23-30)26-13-10-9-11-14-26)33-29(31)28-17-15-25(16-18-28)24(3)32-5-2/h9-11,13-20,22-24,27H,4-8,12,21H2,1-3H3