(2-octan-4-ylphenyl) 4-[4-(1-octadecoxyethyl)phenyl]benzoate

Systemtic Name: (2-octan-4-ylphenyl) 4-[4-(1-octadecoxyethyl)phenyl]benzoate Openeye Name: [2-(1-propylpentyl)phenyl] 4-[4-(1-octadecoxyethyl)phenyl]benzoate CAS Name: 4-[4-(1-octadecoxyethyl)phenyl]benzoic acid (2-octan-4-ylphenyl) ester IUPAC Name: (2-octan-4-ylphenyl) 4-[4-(1-octadecoxyethyl)phenyl]benzoate Traditional Name: 4-[4-(1-stearyloxyethyl)phenyl]benzoic acid [2-(1-propylpentyl)phenyl] ester Formula: C47H70O3 MolecularWeight: 683.0569

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOC(C)C1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)OC3=CC=CC=C3C(CCC)CCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOC(C)C1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)OC3=CC=CC=C3C(CCC)CCCC

InChI

InChI=1S/C47H70O3/c1-5-8-10-11-12-13-14-15-16-17-18-19-20-21-22-25-38-49-39(4)40-30-32-41(33-31-40)42-34-36-44(37-35-42)47(48)50-46-29-24-23-28-45(46)43(26-7-3)27-9-6-2/h23-24,28-37,39,43H,5-22,25-27,38H2,1-4H3