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

Systemtic Name: (2-octan-4-ylphenyl) 4-[4-(1-hexadecoxyethyl)phenyl]benzoate Openeye Name: [2-(1-propylpentyl)phenyl] 4-[4-(1-hexadecoxyethyl)phenyl]benzoate CAS Name: 4-[4-(1-hexadecoxyethyl)phenyl]benzoic acid (2-octan-4-ylphenyl) ester IUPAC Name: (2-octan-4-ylphenyl) 4-[4-(1-hexadecoxyethyl)phenyl]benzoate Traditional Name: 4-[4-(1-cetyloxyethyl)phenyl]benzoic acid [2-(1-propylpentyl)phenyl] ester Formula: C45H66O3 MolecularWeight: 655.00374

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C45H66O3/c1-5-8-10-11-12-13-14-15-16-17-18-19-20-23-36-47-37(4)38-28-30-39(31-29-38)40-32-34-42(35-33-40)45(46)48-44-27-22-21-26-43(44)41(24-7-3)25-9-6-2/h21-22,26-35,37,41H,5-20,23-25,36H2,1-4H3