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

Systemtic Name: [1-(1-hexadecoxyethyl)-4-phenyl-cyclohexa-2,5-dien-1-yl] 4-pentadecylbenzoate Openeye Name: [1-(1-hexadecoxyethyl)-4-phenyl-cyclohexa-2,5-dien-1-yl] 4-pentadecylbenzoate CAS Name: 4-pentadecylbenzoic 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-pentadecylbenzoate Traditional Name: 4-pentadecylbenzoic acid [1-(1-cetyloxyethyl)-4-phenyl-cyclohexa-2,5-dien-1-yl] ester Formula: C52H82O3 MolecularWeight: 755.20568

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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)CCCCCCCCCCCCCCC

Isomeric SMILES

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

InChI

InChI=1S/C52H82O3/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-33-45-54-46(3)52(43-41-49(42-44-52)48-35-31-29-32-36-48)55-51(53)50-39-37-47(38-40-50)34-30-27-25-23-21-19-17-15-13-11-9-7-5-2/h29,31-32,35-44,46,49H,4-28,30,33-34,45H2,1-3H3