3-azanylbenzenesulfonic acid; 3-azanyl-4-methoxy-benzenesulfonic acid

Systemtic Name: 3-azanylbenzenesulfonic acid; 3-azanyl-4-methoxy-benzenesulfonic acid Openeye Name: 3-aminobenzenesulfonic acid; 3-amino-4-methoxy-benzenesulfonic acid CAS Name: 3-aminobenzenesulfonic acid; 3-amino-4-methoxybenzenesulfonic acid IUPAC Name: 3-aminobenzenesulfonic acid; 3-amino-4-methoxybenzenesulfonic acid Traditional Name: 3-aminobesylic acid; 3-amino-4-methoxy-besylic acid Formula: C13H16N2O7S2 MolecularWeight: 376.40534

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)O)N.C1=CC(=CC(=C1)S(=O)(=O)O)N

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)O)N.C1=CC(=CC(=C1)S(=O)(=O)O)N

InChI

InChI=1S/C7H9NO4S.C6H7NO3S/c1-12-7-3-2-5(4-6(7)8)13(9,10)11;7-5-2-1-3-6(4-5)11(8,9)10/h2-4H,8H2,1H3,(H,9,10,11);1-4H,7H2,(H,8,9,10)