calcium 1-acetamido-3-methyl-butane-2-sulfonate

Systemtic Name: calcium 1-acetamido-3-methyl-butane-2-sulfonate Openeye Name: calcium 1-acetamido-3-methyl-butane-2-sulfonate CAS Name: calcium 1-acetamido-3-methyl-2-butanesulfonate IUPAC Name: calcium 1-acetamido-3-methylbutane-2-sulfonate Traditional Name: calcium 1-acetamido-3-methyl-butane-2-sulfonate Formula: C7H14CaNO4S+ MolecularWeight: 248.33336

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CNC(=O)C)S(=O)(=O)[O-].[Ca+2]

Isomeric SMILES

CC(C)C(CNC(=O)C)S(=O)(=O)[O-].[Ca+2]

InChI

InChI=1S/C7H15NO4S.Ca/c1-5(2)7(13(10,11)12)4-8-6(3)9;/h5,7H,4H2,1-3H3,(H,8,9)(H,10,11,12);/q;+2/p-1