3,3-dimethyl-2-oxidanylidene-butane-1-sulfonic acid hydrate

Systemtic Name: 3,3-dimethyl-2-oxidanylidene-butane-1-sulfonic acid hydrate Openeye Name: 3,3-dimethyl-2-oxo-butane-1-sulfonic acid hydrate CAS Name: 3,3-dimethyl-2-oxo-1-butanesulfonic acid hydrate IUPAC Name: 3,3-dimethyl-2-oxobutane-1-sulfonic acid hydrate Traditional Name: 2-keto-3,3-dimethyl-butane-1-sulfonic acid hydrate Formula: C6H14O5S MolecularWeight: 198.23736

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)CS(=O)(=O)O.O

Isomeric SMILES

CC(C)(C)C(=O)CS(=O)(=O)O.O

InChI

InChI=1S/C6H12O4S.H2O/c1-6(2,3)5(7)4-11(8,9)10;/h4H2,1-3H3,(H,8,9,10);1H2