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

Systemtic Name: [4-(1-hexadecoxyethyl)phenyl] 4-(4-butylphenyl)benzoate Openeye Name: [4-(1-hexadecoxyethyl)phenyl] 4-(4-butylphenyl)benzoate CAS Name: 4-(4-butylphenyl)benzoic acid [4-(1-hexadecoxyethyl)phenyl] ester IUPAC Name: [4-(1-hexadecoxyethyl)phenyl] 4-(4-butylphenyl)benzoate Traditional Name: 4-(4-butylphenyl)benzoic acid [4-(1-cetyloxyethyl)phenyl] ester Formula: C41H58O3 MolecularWeight: 598.89742

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC(C)C1=CC=C(C=C1)OC(=O)C2=CC=C(C=C2)C3=CC=C(C=C3)CCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCOC(C)C1=CC=C(C=C1)OC(=O)C2=CC=C(C=C2)C3=CC=C(C=C3)CCCC

InChI

InChI=1S/C41H58O3/c1-4-6-8-9-10-11-12-13-14-15-16-17-18-19-33-43-34(3)36-29-31-40(32-30-36)44-41(42)39-27-25-38(26-28-39)37-23-21-35(22-24-37)20-7-5-2/h21-32,34H,4-20,33H2,1-3H3