calcium 3-acetamido-2,2-dimethyl-propane-1-sulfonate

Systemtic Name: calcium 3-acetamido-2,2-dimethyl-propane-1-sulfonate Openeye Name: calcium 3-acetamido-2,2-dimethyl-propane-1-sulfonate CAS Name: calcium 3-acetamido-2,2-dimethyl-1-propanesulfonate IUPAC Name: calcium 3-acetamido-2,2-dimethylpropane-1-sulfonate Traditional Name: calcium 3-acetamido-2,2-dimethyl-propane-1-sulfonate Formula: C7H14CaNO4S+ MolecularWeight: 248.33336

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCC(C)(C)CS(=O)(=O)[O-].[Ca+2]

Isomeric SMILES

CC(=O)NCC(C)(C)CS(=O)(=O)[O-].[Ca+2]

InChI

InChI=1S/C7H15NO4S.Ca/c1-6(9)8-4-7(2,3)5-13(10,11)12;/h4-5H2,1-3H3,(H,8,9)(H,10,11,12);/q;+2/p-1