(2-octylphenyl) 4-[4-(1-octadecoxyethyl)phenyl]benzoate

Systemtic Name: (2-octylphenyl) 4-[4-(1-octadecoxyethyl)phenyl]benzoate Openeye Name: (2-octylphenyl) 4-[4-(1-octadecoxyethyl)phenyl]benzoate CAS Name: 4-[4-(1-octadecoxyethyl)phenyl]benzoic acid (2-octylphenyl) ester IUPAC Name: (2-octylphenyl) 4-[4-(1-octadecoxyethyl)phenyl]benzoate Traditional Name: 4-[4-(1-stearyloxyethyl)phenyl]benzoic acid (2-octylphenyl) 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=C3CCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOC(C)C1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)OC3=CC=CC=C3CCCCCCCC

InChI

InChI=1S/C47H70O3/c1-4-6-8-10-12-13-14-15-16-17-18-19-20-21-23-27-39-49-40(3)41-31-33-42(34-32-41)43-35-37-45(38-36-43)47(48)50-46-30-26-25-29-44(46)28-24-22-11-9-7-5-2/h25-26,29-38,40H,4-24,27-28,39H2,1-3H3