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

Systemtic Name: (2-pentadecoxyphenyl) 4-[4-(1-hexadecoxyethyl)phenyl]benzoate Openeye Name: (2-pentadecoxyphenyl) 4-[4-(1-hexadecoxyethyl)phenyl]benzoate CAS Name: 4-[4-(1-hexadecoxyethyl)phenyl]benzoic acid (2-pentadecoxyphenyl) ester IUPAC Name: (2-pentadecoxyphenyl) 4-[4-(1-hexadecoxyethyl)phenyl]benzoate Traditional Name: 4-[4-(1-cetyloxyethyl)phenyl]benzoic acid (2-pentadecoxyphenyl) ester Formula: C52H80O4 MolecularWeight: 769.1892

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C52H80O4/c1-4-6-8-10-12-14-16-18-20-21-23-25-27-31-43-54-45(3)46-35-37-47(38-36-46)48-39-41-49(42-40-48)52(53)56-51-34-30-29-33-50(51)55-44-32-28-26-24-22-19-17-15-13-11-9-7-5-2/h29-30,33-42,45H,4-28,31-32,43-44H2,1-3H3