2,2,4-trimethyl-3-oxidanylidene-hexane-1-sulfonic acid

Systemtic Name: 2,2,4-trimethyl-3-oxidanylidene-hexane-1-sulfonic acid Openeye Name: 2,2,4-trimethyl-3-oxo-hexane-1-sulfonic acid CAS Name: 2,2,4-trimethyl-3-oxo-1-hexanesulfonic acid IUPAC Name: 2,2,4-trimethyl-3-oxohexane-1-sulfonic acid Traditional Name: 3-keto-2,2,4-trimethyl-hexane-1-sulfonic acid Formula: C9H18O4S MolecularWeight: 222.30182

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(=O)C(C)(C)CS(=O)(=O)O

Isomeric SMILES

CCC(C)C(=O)C(C)(C)CS(=O)(=O)O

InChI

InChI=1S/C9H18O4S/c1-5-7(2)8(10)9(3,4)6-14(11,12)13/h7H,5-6H2,1-4H3,(H,11,12,13)