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

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

Isomeric SMILES

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

InChI

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