calcium 2-[(3,3-dimethyl-2-oxidanidyl-4-oxidanyl-butanoyl)amino]ethanesulfonate

Systemtic Name: calcium 2-[(3,3-dimethyl-2-oxidanidyl-4-oxidanyl-butanoyl)amino]ethanesulfonate Openeye Name: calcium 2-[(4-hydroxy-3,3-dimethyl-2-oxido-butanoyl)amino]ethanesulfonate CAS Name: calcium 2-[(4-hydroxy-3,3-dimethyl-2-oxido-1-oxobutyl)amino]ethanesulfonate IUPAC Name: calcium 2-[(4-hydroxy-3,3-dimethyl-2-oxidobutanoyl)amino]ethanesulfonate Traditional Name: calcium 2-[(4-hydroxy-3,3-dimethyl-2-oxido-butanoyl)amino]ethanesulfonate Formula: C8H15CaNO6S MolecularWeight: 293.3508

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CO)C(C(=O)NCCS(=O)(=O)[O-])[O-].[Ca+2]

Isomeric SMILES

CC(C)(CO)C(C(=O)NCCS(=O)(=O)[O-])[O-].[Ca+2]

InChI

InChI=1S/C8H16NO6S.Ca/c1-8(2,5-10)6(11)7(12)9-3-4-16(13,14)15;/h6,10H,3-5H2,1-2H3,(H,9,12)(H,13,14,15);/q-1;+2/p-1