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

Systemtic Name: (2-pentoxyphenyl) 4-[4-(1-octadecoxyethyl)phenyl]benzoate Openeye Name: (2-pentoxyphenyl) 4-[4-(1-octadecoxyethyl)phenyl]benzoate CAS Name: 4-[4-(1-octadecoxyethyl)phenyl]benzoic acid (2-pentoxyphenyl) ester IUPAC Name: (2-pentoxyphenyl) 4-[4-(1-octadecoxyethyl)phenyl]benzoate Traditional Name: 4-[4-(1-stearyloxyethyl)phenyl]benzoic acid (2-amoxyphenyl) ester Formula: C44H64O4 MolecularWeight: 656.97656

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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=C3OCCCCC

Isomeric SMILES

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

InChI

InChI=1S/C44H64O4/c1-4-6-8-9-10-11-12-13-14-15-16-17-18-19-20-24-35-46-37(3)38-27-29-39(30-28-38)40-31-33-41(34-32-40)44(45)48-43-26-22-21-25-42(43)47-36-23-7-5-2/h21-22,25-34,37H,4-20,23-24,35-36H2,1-3H3