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

Systemtic Name: 2-azanyl-5-[(4-azanyl-3-sulfo-phenyl)amino]benzenesulfonic acid Openeye Name: 2-amino-5-(4-amino-3-sulfo-anilino)benzenesulfonic acid CAS Name: 2-amino-5-(4-amino-3-sulfoanilino)benzenesulfonic acid IUPAC Name: 2-amino-5-(4-amino-3-sulfoanilino)benzenesulfonic acid Traditional Name: 2-amino-5-(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=C1NC2=CC(=C(C=C2)N)S(=O)(=O)O)S(=O)(=O)O)N

Isomeric SMILES

C1=CC(=C(C=C1NC2=CC(=C(C=C2)N)S(=O)(=O)O)S(=O)(=O)O)N

InChI

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