2-[[3,3-dimethyl-2,4-bis(oxidanyl)butanoyl]amino]ethanesulfonic acid; sodium

Systemtic Name: 2-[[3,3-dimethyl-2,4-bis(oxidanyl)butanoyl]amino]ethanesulfonic acid; sodium Openeye Name: 2-[(2,4-dihydroxy-3,3-dimethyl-butanoyl)amino]ethanesulfonic acid; sodium CAS Name: 2-[(2,4-dihydroxy-3,3-dimethyl-1-oxobutyl)amino]ethanesulfonic acid; sodium IUPAC Name: 2-[(2,4-dihydroxy-3,3-dimethylbutanoyl)amino]ethanesulfonic acid; sodium Traditional Name: 2-[(2,4-dihydroxy-3,3-dimethyl-butanoyl)amino]ethanesulfonic acid; sodium Formula: C8H17NNaO6S MolecularWeight: 278.27845

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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);