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

Systemtic Name: (2-pentadecylphenyl) 4-[4-(1-octadecoxyethyl)phenyl]benzoate Openeye Name: (2-pentadecylphenyl) 4-[4-(1-octadecoxyethyl)phenyl]benzoate CAS Name: 4-[4-(1-octadecoxyethyl)phenyl]benzoic acid (2-pentadecylphenyl) ester IUPAC Name: (2-pentadecylphenyl) 4-[4-(1-octadecoxyethyl)phenyl]benzoate Traditional Name: 4-[4-(1-stearyloxyethyl)phenyl]benzoic acid (2-pentadecylphenyl) ester Formula: C54H84O3 MolecularWeight: 781.24296

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOC(C)C1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)OC3=CC=CC=C3CCCCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOC(C)C1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)OC3=CC=CC=C3CCCCCCCCCCCCCCC

InChI

InChI=1S/C54H84O3/c1-4-6-8-10-12-14-16-18-19-20-22-24-26-28-30-34-46-56-47(3)48-38-40-49(41-39-48)50-42-44-52(45-43-50)54(55)57-53-37-33-32-36-51(53)35-31-29-27-25-23-21-17-15-13-11-9-7-5-2/h32-33,36-45,47H,4-31,34-35,46H2,1-3H3