[1-(1-icosoxyethyl)-4-phenyl-cyclohexa-2,5-dien-1-yl] 4-pentadecoxybenzoate

Systemtic Name: [1-(1-icosoxyethyl)-4-phenyl-cyclohexa-2,5-dien-1-yl] 4-pentadecoxybenzoate Openeye Name: [1-(1-icosoxyethyl)-4-phenyl-cyclohexa-2,5-dien-1-yl] 4-pentadecoxybenzoate CAS Name: 4-pentadecoxybenzoic acid [1-(1-eicosoxyethyl)-4-phenyl-1-cyclohexa-2,5-dienyl] ester IUPAC Name: [1-(1-icosoxyethyl)-4-phenylcyclohexa-2,5-dien-1-yl] 4-pentadecoxybenzoate Traditional Name: 4-pentadecoxybenzoic acid [1-(1-arachyloxyethyl)-4-phenyl-cyclohexa-2,5-dien-1-yl] ester Formula: C56H90O4 MolecularWeight: 827.3114

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCOC(C)C1(C=CC(C=C1)C2=CC=CC=C2)OC(=O)C3=CC=C(C=C3)OCCCCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCCOC(C)C1(C=CC(C=C1)C2=CC=CC=C2)OC(=O)C3=CC=C(C=C3)OCCCCCCCCCCCCCCC

InChI

InChI=1S/C56H90O4/c1-4-6-8-10-12-14-16-18-19-20-21-22-24-25-27-29-31-36-48-58-50(3)56(46-44-52(45-47-56)51-38-34-33-35-39-51)60-55(57)53-40-42-54(43-41-53)59-49-37-32-30-28-26-23-17-15-13-11-9-7-5-2/h33-35,38-47,50,52H,4-32,36-37,48-49H2,1-3H3