calcium 4-azanyl-3-methylsulfonyl-benzenesulfonic acid

Systemtic Name: calcium 4-azanyl-3-methylsulfonyl-benzenesulfonic acid Openeye Name: calcium 4-amino-3-methylsulfonyl-benzenesulfonic acid CAS Name: calcium 4-amino-3-methylsulfonylbenzenesulfonic acid IUPAC Name: calcium 4-amino-3-methylsulfonylbenzenesulfonic acid Traditional Name: calcium 4-amino-3-mesyl-besylic acid Formula: C7H9CaNO5S2+2 MolecularWeight: 291.35806

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=C(C=CC(=C1)S(=O)(=O)O)N.[Ca+2]

Isomeric SMILES

CS(=O)(=O)C1=C(C=CC(=C1)S(=O)(=O)O)N.[Ca+2]

InChI

InChI=1S/C7H9NO5S2.Ca/c1-14(9,10)7-4-5(15(11,12)13)2-3-6(7)8;/h2-4H,8H2,1H3,(H,11,12,13);/q;+2