(1-butyl-4-phenyl-cyclohexa-2,5-dien-1-yl) 4-(1-octadecoxyethyl)benzoate

Systemtic Name: (1-butyl-4-phenyl-cyclohexa-2,5-dien-1-yl) 4-(1-octadecoxyethyl)benzoate Openeye Name: (1-butyl-4-phenyl-cyclohexa-2,5-dien-1-yl) 4-(1-octadecoxyethyl)benzoate CAS Name: 4-(1-octadecoxyethyl)benzoic acid (1-butyl-4-phenyl-1-cyclohexa-2,5-dienyl) ester IUPAC Name: (1-butyl-4-phenylcyclohexa-2,5-dien-1-yl) 4-(1-octadecoxyethyl)benzoate Traditional Name: 4-(1-stearyloxyethyl)benzoic acid (1-butyl-4-phenyl-cyclohexa-2,5-dien-1-yl) ester Formula: C43H64O3 MolecularWeight: 628.96646

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOC(C)C1=CC=C(C=C1)C(=O)OC2(C=CC(C=C2)C3=CC=CC=C3)CCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOC(C)C1=CC=C(C=C1)C(=O)OC2(C=CC(C=C2)C3=CC=CC=C3)CCCC

InChI

InChI=1S/C43H64O3/c1-4-6-8-9-10-11-12-13-14-15-16-17-18-19-20-24-36-45-37(3)38-27-29-41(30-28-38)42(44)46-43(33-7-5-2)34-31-40(32-35-43)39-25-22-21-23-26-39/h21-23,25-32,34-35,37,40H,4-20,24,33,36H2,1-3H3