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

Systemtic Name: (2-hexylphenyl) 4-[4-(1-octadecoxyethyl)phenyl]benzoate Openeye Name: (2-hexylphenyl) 4-[4-(1-octadecoxyethyl)phenyl]benzoate CAS Name: 4-[4-(1-octadecoxyethyl)phenyl]benzoic acid (2-hexylphenyl) ester IUPAC Name: (2-hexylphenyl) 4-[4-(1-octadecoxyethyl)phenyl]benzoate Traditional Name: 4-[4-(1-stearyloxyethyl)phenyl]benzoic acid (2-hexylphenyl) ester Formula: C45H66O3 MolecularWeight: 655.00374

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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=C3CCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOC(C)C1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)OC3=CC=CC=C3CCCCCC

InChI

InChI=1S/C45H66O3/c1-4-6-8-10-11-12-13-14-15-16-17-18-19-20-21-25-37-47-38(3)39-29-31-40(32-30-39)41-33-35-43(36-34-41)45(46)48-44-28-24-23-27-42(44)26-22-9-7-5-2/h23-24,27-36,38H,4-22,25-26,37H2,1-3H3