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

Systemtic Name: (2-oxidanyl-3-oxidanylidene-2,3-diphenyl-propyl) dodecane-1-sulfonate Openeye Name: (2-hydroxy-3-oxo-2,3-diphenyl-propyl) dodecane-1-sulfonate CAS Name: 1-dodecanesulfonic acid IUPAC Name: (2-hydroxy-3-oxo-2,3-diphenylpropyl) dodecane-1-sulfonate Traditional Name: dodecane-1-sulfonic acid (2-hydroxy-3-keto-2,3-diphenyl-propyl) ester Formula: C27H38O5S MolecularWeight: 474.65262

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H38O5S/c1-2-3-4-5-6-7-8-9-10-17-22-33(30,31)32-23-27(29,25-20-15-12-16-21-25)26(28)24-18-13-11-14-19-24/h11-16,18-21,29H,2-10,17,22-23H2,1H3