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

Systemtic Name: [1-(1-hexadecoxyethyl)-4-phenyl-cyclohexa-2,5-dien-1-yl] 4-hexylbenzoate Openeye Name: [1-(1-hexadecoxyethyl)-4-phenyl-cyclohexa-2,5-dien-1-yl] 4-hexylbenzoate CAS Name: 4-hexylbenzoic acid [1-(1-hexadecoxyethyl)-4-phenyl-1-cyclohexa-2,5-dienyl] ester IUPAC Name: [1-(1-hexadecoxyethyl)-4-phenylcyclohexa-2,5-dien-1-yl] 4-hexylbenzoate Traditional Name: 4-hexylbenzoic acid [1-(1-cetyloxyethyl)-4-phenyl-cyclohexa-2,5-dien-1-yl] ester Formula: C43H64O3 MolecularWeight: 628.96646

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C43H64O3/c1-4-6-8-10-11-12-13-14-15-16-17-18-19-24-36-45-37(3)43(34-32-40(33-35-43)39-26-22-20-23-27-39)46-42(44)41-30-28-38(29-31-41)25-21-9-7-5-2/h20,22-23,26-35,37,40H,4-19,21,24-25,36H2,1-3H3