(4-propoxyphenyl) 4-[4-(1-octadecoxyethyl)phenyl]benzoate

Systemtic Name: (4-propoxyphenyl) 4-[4-(1-octadecoxyethyl)phenyl]benzoate Openeye Name: (4-propoxyphenyl) 4-[4-(1-octadecoxyethyl)phenyl]benzoate CAS Name: 4-[4-(1-octadecoxyethyl)phenyl]benzoic acid (4-propoxyphenyl) ester IUPAC Name: (4-propoxyphenyl) 4-[4-(1-octadecoxyethyl)phenyl]benzoate Traditional Name: 4-[4-(1-stearyloxyethyl)phenyl]benzoic acid (4-propoxyphenyl) ester Formula: C42H60O4 MolecularWeight: 628.9234

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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=C(C=C3)OCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOC(C)C1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)OC3=CC=C(C=C3)OCCC

InChI

InChI=1S/C42H60O4/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-34-44-35(3)36-21-23-37(24-22-36)38-25-27-39(28-26-38)42(43)46-41-31-29-40(30-32-41)45-33-5-2/h21-32,35H,4-20,33-34H2,1-3H3