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

Systemtic Name: [4-(1-octadecoxyethyl)phenyl] 4-(4-pentadecylphenyl)benzoate Openeye Name: [4-(1-octadecoxyethyl)phenyl] 4-(4-pentadecylphenyl)benzoate CAS Name: 4-(4-pentadecylphenyl)benzoic acid [4-(1-octadecoxyethyl)phenyl] ester IUPAC Name: [4-(1-octadecoxyethyl)phenyl] 4-(4-pentadecylphenyl)benzoate Traditional Name: 4-(4-pentadecylphenyl)benzoic acid [4-(1-stearyloxyethyl)phenyl] ester Formula: C54H84O3 MolecularWeight: 781.24296

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOC(C)C1=CC=C(C=C1)OC(=O)C2=CC=C(C=C2)C3=CC=C(C=C3)CCCCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOC(C)C1=CC=C(C=C1)OC(=O)C2=CC=C(C=C2)C3=CC=C(C=C3)CCCCCCCCCCCCCCC

InChI

InChI=1S/C54H84O3/c1-4-6-8-10-12-14-16-18-19-20-22-24-26-28-30-32-46-56-47(3)49-42-44-53(45-43-49)57-54(55)52-40-38-51(39-41-52)50-36-34-48(35-37-50)33-31-29-27-25-23-21-17-15-13-11-9-7-5-2/h34-45,47H,4-33,46H2,1-3H3