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

Systemtic Name: [1-(1-octadecoxyethyl)-4-phenyl-cyclohexa-2,5-dien-1-yl] 4-pentadecylbenzoate Openeye Name: [1-(1-octadecoxyethyl)-4-phenyl-cyclohexa-2,5-dien-1-yl] 4-pentadecylbenzoate CAS Name: 4-pentadecylbenzoic 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-pentadecylbenzoate Traditional Name: 4-pentadecylbenzoic acid [4-phenyl-1-(1-stearyloxyethyl)cyclohexa-2,5-dien-1-yl] ester Formula: C54H86O3 MolecularWeight: 783.25884

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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)CCCCCCCCCCCCCCC

Isomeric SMILES

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

InChI

InChI=1S/C54H86O3/c1-4-6-8-10-12-14-16-18-19-20-22-24-26-28-30-35-47-56-48(3)54(45-43-51(44-46-54)50-37-33-31-34-38-50)57-53(55)52-41-39-49(40-42-52)36-32-29-27-25-23-21-17-15-13-11-9-7-5-2/h31,33-34,37-46,48,51H,4-30,32,35-36,47H2,1-3H3