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

Systemtic Name: (2-pentadecoxyphenyl) 4-[4-(1-octadecoxyethyl)phenyl]benzoate Openeye Name: (2-pentadecoxyphenyl) 4-[4-(1-octadecoxyethyl)phenyl]benzoate CAS Name: 4-[4-(1-octadecoxyethyl)phenyl]benzoic acid (2-pentadecoxyphenyl) ester IUPAC Name: (2-pentadecoxyphenyl) 4-[4-(1-octadecoxyethyl)phenyl]benzoate Traditional Name: 4-[4-(1-stearyloxyethyl)phenyl]benzoic acid (2-pentadecoxyphenyl) ester Formula: C54H84O4 MolecularWeight: 797.24236

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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=C3OCCCCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOC(C)C1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)OC3=CC=CC=C3OCCCCCCCCCCCCCCC

InChI

InChI=1S/C54H84O4/c1-4-6-8-10-12-14-16-18-19-20-22-23-25-27-29-33-45-56-47(3)48-37-39-49(40-38-48)50-41-43-51(44-42-50)54(55)58-53-36-32-31-35-52(53)57-46-34-30-28-26-24-21-17-15-13-11-9-7-5-2/h31-32,35-44,47H,4-30,33-34,45-46H2,1-3H3