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

Systemtic Name: [1-(1-octadecoxyethyl)-4-phenyl-cyclohexa-2,5-dien-1-yl] 4-octylbenzoate Openeye Name: [1-(1-octadecoxyethyl)-4-phenyl-cyclohexa-2,5-dien-1-yl] 4-octylbenzoate CAS Name: 4-octylbenzoic 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-octylbenzoate Traditional Name: 4-octylbenzoic acid [4-phenyl-1-(1-stearyloxyethyl)cyclohexa-2,5-dien-1-yl] ester Formula: C47H72O3 MolecularWeight: 685.07278

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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)CCCCCCCC

Isomeric SMILES

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

InChI

InChI=1S/C47H72O3/c1-4-6-8-10-12-13-14-15-16-17-18-19-20-21-23-28-40-49-41(3)47(38-36-44(37-39-47)43-30-26-24-27-31-43)50-46(48)45-34-32-42(33-35-45)29-25-22-11-9-7-5-2/h24,26-27,30-39,41,44H,4-23,25,28-29,40H2,1-3H3