calcium 4-azanyl-3-methylsulfonyl-benzenesulfonate

Systemtic Name: calcium 4-azanyl-3-methylsulfonyl-benzenesulfonate Openeye Name: calcium 4-amino-3-methylsulfonyl-benzenesulfonate CAS Name: calcium 4-amino-3-methylsulfonylbenzenesulfonate IUPAC Name: calcium 4-amino-3-methylsulfonylbenzenesulfonate Traditional Name: calcium 4-amino-3-mesyl-besylate Formula: C7H8CaNO5S2+ MolecularWeight: 290.35012

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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/p-1