5-azanyl-2-[(4-azanyl-3-sulfo-phenyl)amino]benzenesulfonic acid

Systemtic Name: 5-azanyl-2-[(4-azanyl-3-sulfo-phenyl)amino]benzenesulfonic acid Openeye Name: 5-amino-2-(4-amino-3-sulfo-anilino)benzenesulfonic acid CAS Name: 5-amino-2-(4-amino-3-sulfoanilino)benzenesulfonic acid IUPAC Name: 5-amino-2-(4-amino-3-sulfoanilino)benzenesulfonic acid Traditional Name: 5-amino-2-(4-amino-3-sulfo-anilino)besylic acid Formula: C12H13N3O6S2 MolecularWeight: 359.37812

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1N)S(=O)(=O)O)NC2=CC(=C(C=C2)N)S(=O)(=O)O

Isomeric SMILES

C1=CC(=C(C=C1N)S(=O)(=O)O)NC2=CC(=C(C=C2)N)S(=O)(=O)O

InChI

InChI=1S/C12H13N3O6S2/c13-7-1-4-10(12(5-7)23(19,20)21)15-8-2-3-9(14)11(6-8)22(16,17)18/h1-6,15H,13-14H2,(H,16,17,18)(H,19,20,21)