2,3-diphenylpropyl 2-oxidanyl-3-oxidanylidene-dodecane-1-sulfonate

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC(=O)C(CS(=O)(=O)OCC(CC1=CC=CC=C1)C2=CC=CC=C2)O

Isomeric SMILES

CCCCCCCCCC(=O)C(CS(=O)(=O)OCC(CC1=CC=CC=C1)C2=CC=CC=C2)O

InChI

InChI=1S/C27H38O5S/c1-2-3-4-5-6-7-14-19-26(28)27(29)22-33(30,31)32-21-25(24-17-12-9-13-18-24)20-23-15-10-8-11-16-23/h8-13,15-18,25,27,29H,2-7,14,19-22H2,1H3