sodium 3-(2,2-dimethylbutanoyloxy)propane-1-sulfonate

Systemtic Name: sodium 3-(2,2-dimethylbutanoyloxy)propane-1-sulfonate Openeye Name: sodium 3-(2,2-dimethylbutanoyloxy)propane-1-sulfonate CAS Name: sodium 3-(2,2-dimethyl-1-oxobutoxy)-1-propanesulfonate IUPAC Name: sodium 3-(2,2-dimethylbutanoyloxy)propane-1-sulfonate Traditional Name: sodium 3-(2,2-dimethylbutanoyloxy)propane-1-sulfonate Formula: C9H17NaO5S MolecularWeight: 260.28305

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C(=O)OCCCS(=O)(=O)[O-].[Na+]

Isomeric SMILES

CCC(C)(C)C(=O)OCCCS(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C9H18O5S.Na/c1-4-9(2,3)8(10)14-6-5-7-15(11,12)13;/h4-7H2,1-3H3,(H,11,12,13);/q;+1/p-1