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

Systemtic Name: (2-pentoxyphenyl) 4-[4-(1-hexadecoxyethyl)phenyl]benzoate Openeye Name: (2-pentoxyphenyl) 4-[4-(1-hexadecoxyethyl)phenyl]benzoate CAS Name: 4-[4-(1-hexadecoxyethyl)phenyl]benzoic acid (2-pentoxyphenyl) ester IUPAC Name: (2-pentoxyphenyl) 4-[4-(1-hexadecoxyethyl)phenyl]benzoate Traditional Name: 4-[4-(1-cetyloxyethyl)phenyl]benzoic acid (2-amoxyphenyl) ester Formula: C42H60O4 MolecularWeight: 628.9234

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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=C3OCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCOC(C)C1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)OC3=CC=CC=C3OCCCCC

InChI

InChI=1S/C42H60O4/c1-4-6-8-9-10-11-12-13-14-15-16-17-18-22-33-44-35(3)36-25-27-37(28-26-36)38-29-31-39(32-30-38)42(43)46-41-24-20-19-23-40(41)45-34-21-7-5-2/h19-20,23-32,35H,4-18,21-22,33-34H2,1-3H3