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

Systemtic Name: (2-oxidanyl-3-oxidanylidene-2,3-diphenyl-propyl) octane-1-sulfonate Openeye Name: (2-hydroxy-3-oxo-2,3-diphenyl-propyl) octane-1-sulfonate CAS Name: 1-octanesulfonic acid IUPAC Name: (2-hydroxy-3-oxo-2,3-diphenylpropyl) octane-1-sulfonate Traditional Name: octane-1-sulfonic acid (2-hydroxy-3-keto-2,3-diphenyl-propyl) ester Formula: C23H30O5S MolecularWeight: 418.5463

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCS(=O)(=O)OCC(C1=CC=CC=C1)(C(=O)C2=CC=CC=C2)O

Isomeric SMILES

CCCCCCCCS(=O)(=O)OCC(C1=CC=CC=C1)(C(=O)C2=CC=CC=C2)O

InChI

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