(2-hexan-3-ylphenyl) 4-[4-(1-octadecoxyethyl)phenyl]benzoate

Systemtic Name: (2-hexan-3-ylphenyl) 4-[4-(1-octadecoxyethyl)phenyl]benzoate Openeye Name: [2-(1-ethylbutyl)phenyl] 4-[4-(1-octadecoxyethyl)phenyl]benzoate CAS Name: 4-[4-(1-octadecoxyethyl)phenyl]benzoic acid (2-hexan-3-ylphenyl) ester IUPAC Name: (2-hexan-3-ylphenyl) 4-[4-(1-octadecoxyethyl)phenyl]benzoate Traditional Name: 4-[4-(1-stearyloxyethyl)phenyl]benzoic acid [2-(1-ethylbutyl)phenyl] ester Formula: C45H66O3 MolecularWeight: 655.00374

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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(CC)CCC

Isomeric SMILES

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

InChI

InChI=1S/C45H66O3/c1-5-8-9-10-11-12-13-14-15-16-17-18-19-20-21-24-36-47-37(4)39-28-30-40(31-29-39)41-32-34-42(35-33-41)45(46)48-44-27-23-22-26-43(44)38(7-3)25-6-2/h22-23,26-35,37-38H,5-21,24-25,36H2,1-4H3