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

Systemtic Name: [4-(4-butylphenyl)phenyl] 4-(1-octadecoxyethyl)benzoate Openeye Name: [4-(4-butylphenyl)phenyl] 4-(1-octadecoxyethyl)benzoate CAS Name: 4-(1-octadecoxyethyl)benzoic acid [4-(4-butylphenyl)phenyl] ester IUPAC Name: [4-(4-butylphenyl)phenyl] 4-(1-octadecoxyethyl)benzoate Traditional Name: 4-(1-stearyloxyethyl)benzoic acid [4-(4-butylphenyl)phenyl] ester Formula: C43H62O3 MolecularWeight: 626.95058

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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)CCCC

Isomeric SMILES

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

InChI

InChI=1S/C43H62O3/c1-4-6-8-9-10-11-12-13-14-15-16-17-18-19-20-21-35-45-36(3)38-27-29-41(30-28-38)43(44)46-42-33-31-40(32-34-42)39-25-23-37(24-26-39)22-7-5-2/h23-34,36H,4-22,35H2,1-3H3