[4-(4-butoxyphenyl)phenyl] 4-(1-octadecoxyethyl)benzoate

Systemtic Name: [4-(4-butoxyphenyl)phenyl] 4-(1-octadecoxyethyl)benzoate Openeye Name: [4-(4-butoxyphenyl)phenyl] 4-(1-octadecoxyethyl)benzoate CAS Name: 4-(1-octadecoxyethyl)benzoic acid [4-(4-butoxyphenyl)phenyl] ester IUPAC Name: [4-(4-butoxyphenyl)phenyl] 4-(1-octadecoxyethyl)benzoate Traditional Name: 4-(1-stearyloxyethyl)benzoic acid [4-(4-butoxyphenyl)phenyl] ester Formula: C43H62O4 MolecularWeight: 642.94998

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOC(C)C1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)C3=CC=C(C=C3)OCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOC(C)C1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)C3=CC=C(C=C3)OCCCC

InChI

InChI=1S/C43H62O4/c1-4-6-8-9-10-11-12-13-14-15-16-17-18-19-20-21-35-45-36(3)37-22-24-40(25-23-37)43(44)47-42-32-28-39(29-33-42)38-26-30-41(31-27-38)46-34-7-5-2/h22-33,36H,4-21,34-35H2,1-3H3