3-azanyl-4-sulfo-benzenesulfonate

Systemtic Name: 3-azanyl-4-sulfo-benzenesulfonate Openeye Name: 3-amino-4-sulfo-benzenesulfonate CAS Name: 3-amino-4-sulfobenzenesulfonate IUPAC Name: 3-amino-4-sulfobenzenesulfonate Traditional Name: 3-amino-4-sulfo-besylate Formula: C6H6NO6S2- MolecularWeight: 252.24494

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1S(=O)(=O)[O-])N)S(=O)(=O)O

Isomeric SMILES

C1=CC(=C(C=C1S(=O)(=O)[O-])N)S(=O)(=O)O

InChI

InChI=1S/C6H7NO6S2/c7-5-3-4(14(8,9)10)1-2-6(5)15(11,12)13/h1-3H,7H2,(H,8,9,10)(H,11,12,13)/p-1