sodium 2-[[3,3-dimethyl-2,4-bis(oxidanyl)butanoyl]amino]ethanesulfonate

Systemtic Name: sodium 2-[[3,3-dimethyl-2,4-bis(oxidanyl)butanoyl]amino]ethanesulfonate Openeye Name: sodium 2-[(2,4-dihydroxy-3,3-dimethyl-butanoyl)amino]ethanesulfonate CAS Name: sodium 2-[(2,4-dihydroxy-3,3-dimethyl-1-oxobutyl)amino]ethanesulfonate IUPAC Name: sodium 2-[(2,4-dihydroxy-3,3-dimethylbutanoyl)amino]ethanesulfonate Traditional Name: sodium 2-[(2,4-dihydroxy-3,3-dimethyl-butanoyl)amino]ethanesulfonate Formula: C8H16NNaO6S MolecularWeight: 277.27051

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H17NO6S.Na/c1-8(2,5-10)6(11)7(12)9-3-4-16(13,14)15;/h6,10-11H,3-5H2,1-2H3,(H,9,12)(H,13,14,15);/q;+1/p-1