sodium 1-[2-(2,2-dimethylbutanoyloxy)ethoxy]-1-oxidanyl-3-oxidanylidene-butane-1-sulfonate

Systemtic Name: sodium 1-[2-(2,2-dimethylbutanoyloxy)ethoxy]-1-oxidanyl-3-oxidanylidene-butane-1-sulfonate Openeye Name: sodium 1-[2-(2,2-dimethylbutanoyloxy)ethoxy]-1-hydroxy-3-oxo-butane-1-sulfonate CAS Name: sodium 1-[2-(2,2-dimethyl-1-oxobutoxy)ethoxy]-1-hydroxy-3-oxo-1-butanesulfonate IUPAC Name: sodium 1-[2-(2,2-dimethylbutanoyloxy)ethoxy]-1-hydroxy-3-oxobutane-1-sulfonate Traditional Name: sodium 1-[2-(2,2-dimethylbutanoyloxy)ethoxy]-1-hydroxy-3-keto-butane-1-sulfonate Formula: C12H21NaO8S MolecularWeight: 348.34511

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C(=O)OCCOC(CC(=O)C)(O)S(=O)(=O)[O-].[Na+]

Isomeric SMILES

CCC(C)(C)C(=O)OCCOC(CC(=O)C)(O)S(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C12H22O8S.Na/c1-5-11(3,4)10(14)19-6-7-20-12(15,8-9(2)13)21(16,17)18;/h15H,5-8H2,1-4H3,(H,16,17,18);/q;+1/p-1