(3-oxidanyl-1-oxidanylidene-1,2-diphenyl-propan-2-yl) octane-1-sulfonate

Systemtic Name: (3-oxidanyl-1-oxidanylidene-1,2-diphenyl-propan-2-yl) octane-1-sulfonate Openeye Name: [1-(hydroxymethyl)-2-oxo-1,2-diphenyl-ethyl] octane-1-sulfonate CAS Name: 1-octanesulfonic acid IUPAC Name: (3-hydroxy-1-oxo-1,2-diphenylpropan-2-yl) octane-1-sulfonate Traditional Name: octane-1-sulfonic acid (2-keto-1-methylol-1,2-diphenyl-ethyl) ester Formula: C23H30O5S MolecularWeight: 418.5463

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCS(=O)(=O)OC(CO)(C1=CC=CC=C1)C(=O)C2=CC=CC=C2

Isomeric SMILES

CCCCCCCCS(=O)(=O)OC(CO)(C1=CC=CC=C1)C(=O)C2=CC=CC=C2

InChI

InChI=1S/C23H30O5S/c1-2-3-4-5-6-13-18-29(26,27)28-23(19-24,21-16-11-8-12-17-21)22(25)20-14-9-7-10-15-20/h7-12,14-17,24H,2-6,13,18-19H2,1H3