(2S,4S)-1-azaniumyl-5,5-dimethyl-4,6-bis(oxidanyl)-3-oxidanylidene-hexane-2-sulfonate

Systemtic Name: (2S,4S)-1-azaniumyl-5,5-dimethyl-4,6-bis(oxidanyl)-3-oxidanylidene-hexane-2-sulfonate Openeye Name: (2S,4S)-1-azaniumyl-4,6-dihydroxy-5,5-dimethyl-3-oxo-hexane-2-sulfonate CAS Name: (2S,4S)-1-ammonio-4,6-dihydroxy-5,5-dimethyl-3-oxo-2-hexanesulfonate IUPAC Name: (2S,4S)-1-azaniumyl-4,6-dihydroxy-5,5-dimethyl-3-oxohexane-2-sulfonate Traditional Name: (2S,4S)-1-ammonio-4,6-dihydroxy-3-keto-5,5-dimethyl-hexane-2-sulfonate Formula: C8H17NO6S MolecularWeight: 255.28868

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CO)C(C(=O)C(C[NH3+])S(=O)(=O)[O-])O

Isomeric SMILES

CC(C)(CO)[C@@H](C(=O)[C@H](C[NH3+])S(=O)(=O)[O-])O

InChI

InChI=1S/C8H17NO6S/c1-8(2,4-10)7(12)6(11)5(3-9)16(13,14)15/h5,7,10,12H,3-4,9H2,1-2H3,(H,13,14,15)/t5-,7+/m0/s1