calcium 4-acetamidobutane-2-sulfonate

Systemtic Name: calcium 4-acetamidobutane-2-sulfonate Openeye Name: calcium 4-acetamidobutane-2-sulfonate CAS Name: calcium 4-acetamido-2-butanesulfonate IUPAC Name: calcium 4-acetamidobutane-2-sulfonate Traditional Name: calcium 4-acetamidobutane-2-sulfonate Formula: C12H24CaN2O8S2 MolecularWeight: 428.53556

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C6H13NO4S.Ca/c2*1-5(12(9,10)11)3-4-7-6(2)8;/h2*5H,3-4H2,1-2H3,(H,7,8)(H,9,10,11);/q;;+2/p-2