[1-(1-octadecoxyethyl)-4-phenyl-cyclohexa-2,5-dien-1-yl] 4-propylbenzoate

Systemtic Name: [1-(1-octadecoxyethyl)-4-phenyl-cyclohexa-2,5-dien-1-yl] 4-propylbenzoate Openeye Name: [1-(1-octadecoxyethyl)-4-phenyl-cyclohexa-2,5-dien-1-yl] 4-propylbenzoate CAS Name: 4-propylbenzoic acid [1-(1-octadecoxyethyl)-4-phenyl-1-cyclohexa-2,5-dienyl] ester IUPAC Name: [1-(1-octadecoxyethyl)-4-phenylcyclohexa-2,5-dien-1-yl] 4-propylbenzoate Traditional Name: 4-propylbenzoic acid [4-phenyl-1-(1-stearyloxyethyl)cyclohexa-2,5-dien-1-yl] ester Formula: C42H62O3 MolecularWeight: 614.93988

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOC(C)C1(C=CC(C=C1)C2=CC=CC=C2)OC(=O)C3=CC=C(C=C3)CCC

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOC(C)C1(C=CC(C=C1)C2=CC=CC=C2)OC(=O)C3=CC=C(C=C3)CCC

InChI

InChI=1S/C42H62O3/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23-35-44-36(3)42(33-31-39(32-34-42)38-25-21-20-22-26-38)45-41(43)40-29-27-37(24-5-2)28-30-40/h20-22,25-34,36,39H,4-19,23-24,35H2,1-3H3