calcium 3-(2-methylpropanoylamino)propane-1-sulfonate

Systemtic Name: calcium 3-(2-methylpropanoylamino)propane-1-sulfonate Openeye Name: calcium 3-(2-methylpropanoylamino)propane-1-sulfonate CAS Name: calcium 3-[(2-methyl-1-oxopropyl)amino]-1-propanesulfonate IUPAC Name: calcium 3-(2-methylpropanoylamino)propane-1-sulfonate Traditional Name: calcium 3-(isobutyrylamino)propane-1-sulfonate Formula: C14H28CaN2O8S2 MolecularWeight: 456.58872

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C7H15NO4S.Ca/c2*1-6(2)7(9)8-4-3-5-13(10,11)12;/h2*6H,3-5H2,1-2H3,(H,8,9)(H,10,11,12);/q;;+2/p-2