[4-(4-pentylphenyl)phenyl] 4-(1-hexadecoxyethyl)benzoate

Systemtic Name: [4-(4-pentylphenyl)phenyl] 4-(1-hexadecoxyethyl)benzoate Openeye Name: [4-(4-pentylphenyl)phenyl] 4-(1-hexadecoxyethyl)benzoate CAS Name: 4-(1-hexadecoxyethyl)benzoic acid [4-(4-pentylphenyl)phenyl] ester IUPAC Name: [4-(4-pentylphenyl)phenyl] 4-(1-hexadecoxyethyl)benzoate Traditional Name: 4-(1-cetyloxyethyl)benzoic acid [4-(4-amylphenyl)phenyl] ester Formula: C42H60O3 MolecularWeight: 612.924

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC(C)C1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)C3=CC=C(C=C3)CCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCOC(C)C1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)C3=CC=C(C=C3)CCCCC

InChI

InChI=1S/C42H60O3/c1-4-6-8-9-10-11-12-13-14-15-16-17-18-20-34-44-35(3)37-26-28-40(29-27-37)42(43)45-41-32-30-39(31-33-41)38-24-22-36(23-25-38)21-19-7-5-2/h22-33,35H,4-21,34H2,1-3H3