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

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

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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=C3CCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCOC(C)C1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)OC3=CC=CC=C3CCCCCCCC

InChI

InChI=1S/C45H66O3/c1-4-6-8-10-12-13-14-15-16-17-18-19-21-25-37-47-38(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)26-22-20-11-9-7-5-2/h23-24,27-36,38H,4-22,25-26,37H2,1-3H3