[2-oxidanylidene-2-(4-phenylphenyl)ethyl] 4-tridecylbenzenesulfonate

Systemtic Name: [2-oxidanylidene-2-(4-phenylphenyl)ethyl] 4-tridecylbenzenesulfonate Openeye Name: [2-oxo-2-(4-phenylphenyl)ethyl] 4-tridecylbenzenesulfonate CAS Name: 4-tridecylbenzenesulfonic acid [2-oxo-2-(4-phenylphenyl)ethyl] ester IUPAC Name: [2-oxo-2-(4-phenylphenyl)ethyl] 4-tridecylbenzenesulfonate Traditional Name: 4-tridecylbenzenesulfonic acid [2-keto-2-(4-phenylphenyl)ethyl] ester Formula: C33H42O4S MolecularWeight: 534.74918

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC1=CC=C(C=C1)S(=O)(=O)OCC(=O)C2=CC=C(C=C2)C3=CC=CC=C3

Isomeric SMILES

CCCCCCCCCCCCCC1=CC=C(C=C1)S(=O)(=O)OCC(=O)C2=CC=C(C=C2)C3=CC=CC=C3

InChI

InChI=1S/C33H42O4S/c1-2-3-4-5-6-7-8-9-10-11-13-16-28-19-25-32(26-20-28)38(35,36)37-27-33(34)31-23-21-30(22-24-31)29-17-14-12-15-18-29/h12,14-15,17-26H,2-11,13,16,27H2,1H3