4-azanylbenzenesulfonic acid; 2-azanyl-5-methoxy-benzenesulfonic acid

Systemtic Name: 4-azanylbenzenesulfonic acid; 2-azanyl-5-methoxy-benzenesulfonic acid Openeye Name: 4-aminobenzenesulfonic acid; 2-amino-5-methoxy-benzenesulfonic acid CAS Name: 4-aminobenzenesulfonic acid; 2-amino-5-methoxybenzenesulfonic acid IUPAC Name: 4-aminobenzenesulfonic acid; 2-amino-5-methoxybenzenesulfonic acid Traditional Name: 4-aminobesylic acid; 2-amino-5-methoxy-besylic acid Formula: C13H16N2O7S2 MolecularWeight: 376.40534

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)N)S(=O)(=O)O.C1=CC(=CC=C1N)S(=O)(=O)O

Isomeric SMILES

COC1=CC(=C(C=C1)N)S(=O)(=O)O.C1=CC(=CC=C1N)S(=O)(=O)O

InChI

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