sodium 3,3-dimethylbutane-1-sulfonate hydrate

Systemtic Name: sodium 3,3-dimethylbutane-1-sulfonate hydrate Openeye Name: sodium 3,3-dimethylbutane-1-sulfonate hydrate CAS Name: sodium 3,3-dimethyl-1-butanesulfonate hydrate IUPAC Name: sodium 3,3-dimethylbutane-1-sulfonate hydrate Traditional Name: sodium 3,3-dimethylbutane-1-sulfonate hydrate Formula: C6H15NaO4S MolecularWeight: 206.23567

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CCS(=O)(=O)[O-].O.[Na+]

Isomeric SMILES

CC(C)(C)CCS(=O)(=O)[O-].O.[Na+]

InChI

InChI=1S/C6H14O3S.Na.H2O/c1-6(2,3)4-5-10(7,8)9;;/h4-5H2,1-3H3,(H,7,8,9);;1H2/q;+1;/p-1