5-azanyl-2-oxidanyl-3-(4-oxidanyl-3-sulfo-phenyl)benzenesulfonic acid

Systemtic Name: 5-azanyl-2-oxidanyl-3-(4-oxidanyl-3-sulfo-phenyl)benzenesulfonic acid Openeye Name: 5-amino-2-hydroxy-3-(4-hydroxy-3-sulfo-phenyl)benzenesulfonic acid CAS Name: 5-amino-2-hydroxy-3-(4-hydroxy-3-sulfophenyl)benzenesulfonic acid IUPAC Name: 5-amino-2-hydroxy-3-(4-hydroxy-3-sulfophenyl)benzenesulfonic acid Traditional Name: 5-amino-2-hydroxy-3-(4-hydroxy-3-sulfo-phenyl)besylic acid Formula: C12H11NO8S2 MolecularWeight: 361.34764

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C2=CC(=CC(=C2O)S(=O)(=O)O)N)S(=O)(=O)O)O

Isomeric SMILES

C1=CC(=C(C=C1C2=CC(=CC(=C2O)S(=O)(=O)O)N)S(=O)(=O)O)O

InChI

InChI=1S/C12H11NO8S2/c13-7-4-8(12(15)11(5-7)23(19,20)21)6-1-2-9(14)10(3-6)22(16,17)18/h1-5,14-15H,13H2,(H,16,17,18)(H,19,20,21)