calcium 1-azanyl-3-oxidanylidene-butane-2-sulfonic acid

Systemtic Name: calcium 1-azanyl-3-oxidanylidene-butane-2-sulfonic acid Openeye Name: calcium 1-amino-3-oxo-butane-2-sulfonic acid CAS Name: calcium 1-amino-3-oxo-2-butanesulfonic acid IUPAC Name: calcium 1-amino-3-oxobutane-2-sulfonic acid Traditional Name: calcium 1-amino-3-keto-butane-2-sulfonic acid Formula: C4H9CaNO4S+2 MolecularWeight: 207.26156

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C4H9NO4S.Ca/c1-3(6)4(2-5)10(7,8)9;/h4H,2,5H2,1H3,(H,7,8,9);/q;+2