sodium 3-[[3,3-dimethyl-2,4-bis(oxidanyl)butanoyl]amino]propane-1-sulfonate

Systemtic Name: sodium 3-[[3,3-dimethyl-2,4-bis(oxidanyl)butanoyl]amino]propane-1-sulfonate Openeye Name: sodium 3-[(2,4-dihydroxy-3,3-dimethyl-butanoyl)amino]propane-1-sulfonate CAS Name: sodium 3-[(2,4-dihydroxy-3,3-dimethyl-1-oxobutyl)amino]-1-propanesulfonate IUPAC Name: sodium 3-[(2,4-dihydroxy-3,3-dimethylbutanoyl)amino]propane-1-sulfonate Traditional Name: sodium 3-[(2,4-dihydroxy-3,3-dimethyl-butanoyl)amino]propane-1-sulfonate Formula: C9H18NNaO6S MolecularWeight: 291.29709

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H19NO6S.Na/c1-9(2,6-11)7(12)8(13)10-4-3-5-17(14,15)16;/h7,11-12H,3-6H2,1-2H3,(H,10,13)(H,14,15,16);/q;+1/p-1