calcium 4-azanylbenzenesulfonate

Systemtic Name: calcium 4-azanylbenzenesulfonate Openeye Name: calcium 4-aminobenzenesulfonate CAS Name: calcium 4-aminobenzenesulfonate IUPAC Name: calcium 4-aminobenzenesulfonate Traditional Name: calcium 4-aminobesylate Formula: C6H6CaNO3S+ MolecularWeight: 212.25974

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1N)S(=O)(=O)[O-].[Ca+2]

Isomeric SMILES

C1=CC(=CC=C1N)S(=O)(=O)[O-].[Ca+2]

InChI

InChI=1S/C6H7NO3S.Ca/c7-5-1-3-6(4-2-5)11(8,9)10;/h1-4H,7H2,(H,8,9,10);/q;+2/p-1