2-azanylbenzenesulfonic acid; benzenesulfonate

Systemtic Name: 2-azanylbenzenesulfonic acid; benzenesulfonate Openeye Name: 2-aminobenzenesulfonic acid; benzenesulfonate CAS Name: 2-aminobenzenesulfonic acid; benzenesulfonate IUPAC Name: 2-aminobenzenesulfonic acid; benzenesulfonate Traditional Name: 2-aminobesylic acid besylate Formula: C12H12NO6S2- MolecularWeight: 330.35678

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)S(=O)(=O)[O-].C1=CC=C(C(=C1)N)S(=O)(=O)O

Isomeric SMILES

C1=CC=C(C=C1)S(=O)(=O)[O-].C1=CC=C(C(=C1)N)S(=O)(=O)O

InChI

InChI=1S/C6H7NO3S.C6H6O3S/c7-5-3-1-2-4-6(5)11(8,9)10;7-10(8,9)6-4-2-1-3-5-6/h1-4H,7H2,(H,8,9,10);1-5H,(H,7,8,9)/p-1