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

Systemtic Name: [1-(1-octadecoxyethyl)-4-phenyl-cyclohexa-2,5-dien-1-yl] 4-hexylbenzoate Openeye Name: [1-(1-octadecoxyethyl)-4-phenyl-cyclohexa-2,5-dien-1-yl] 4-hexylbenzoate CAS Name: 4-hexylbenzoic 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-hexylbenzoate Traditional Name: 4-hexylbenzoic acid [4-phenyl-1-(1-stearyloxyethyl)cyclohexa-2,5-dien-1-yl] ester Formula: C45H68O3 MolecularWeight: 657.01962

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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)CCCCCC

Isomeric SMILES

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

InChI

InChI=1S/C45H68O3/c1-4-6-8-10-11-12-13-14-15-16-17-18-19-20-21-26-38-47-39(3)45(36-34-42(35-37-45)41-28-24-22-25-29-41)48-44(46)43-32-30-40(31-33-43)27-23-9-7-5-2/h22,24-25,28-37,39,42H,4-21,23,26-27,38H2,1-3H3