(2-pentadecan-4-ylphenyl) 4-[4-(1-hexadecoxyethyl)phenyl]benzoate

Systemtic Name: (2-pentadecan-4-ylphenyl) 4-[4-(1-hexadecoxyethyl)phenyl]benzoate Openeye Name: [2-(1-propyldodecyl)phenyl] 4-[4-(1-hexadecoxyethyl)phenyl]benzoate CAS Name: 4-[4-(1-hexadecoxyethyl)phenyl]benzoic acid (2-pentadecan-4-ylphenyl) ester IUPAC Name: (2-pentadecan-4-ylphenyl) 4-[4-(1-hexadecoxyethyl)phenyl]benzoate Traditional Name: 4-[4-(1-cetyloxyethyl)phenyl]benzoic acid [2-(1-propyldodecyl)phenyl] ester Formula: C52H80O3 MolecularWeight: 753.1898

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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=C3C(CCC)CCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCOC(C)C1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)OC3=CC=CC=C3C(CCC)CCCCCCCCCCC

InChI

InChI=1S/C52H80O3/c1-5-8-10-12-14-16-17-18-19-20-22-24-26-30-43-54-44(4)45-35-37-46(38-36-45)47-39-41-49(42-40-47)52(53)55-51-34-29-28-33-50(51)48(31-7-3)32-27-25-23-21-15-13-11-9-6-2/h28-29,33-42,44,48H,5-27,30-32,43H2,1-4H3