5-azanyl-2-oxidanyl-3-sulfo-benzoic acid; 2-azanyl-5-sulfo-benzoic acid

Systemtic Name: 5-azanyl-2-oxidanyl-3-sulfo-benzoic acid; 2-azanyl-5-sulfo-benzoic acid Openeye Name: 5-amino-2-hydroxy-3-sulfo-benzoic acid; 2-amino-5-sulfo-benzoic acid CAS Name: 5-amino-2-hydroxy-3-sulfobenzoic acid; 2-amino-5-sulfobenzoic acid IUPAC Name: 5-amino-2-hydroxy-3-sulfobenzoic acid; 2-amino-5-sulfobenzoic acid Traditional Name: 5-amino-2-hydroxy-3-sulfo-benzoic acid; 2-amino-5-sulfo-benzoic acid Formula: C14H14N2O11S2 MolecularWeight: 450.39776

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1S(=O)(=O)O)C(=O)O)N.C1=C(C=C(C(=C1S(=O)(=O)O)O)C(=O)O)N

Isomeric SMILES

C1=CC(=C(C=C1S(=O)(=O)O)C(=O)O)N.C1=C(C=C(C(=C1S(=O)(=O)O)O)C(=O)O)N

InChI

InChI=1S/C7H7NO6S.C7H7NO5S/c8-3-1-4(7(10)11)6(9)5(2-3)15(12,13)14;8-6-2-1-4(14(11,12)13)3-5(6)7(9)10/h1-2,9H,8H2,(H,10,11)(H,12,13,14);1-3H,8H2,(H,9,10)(H,11,12,13)