2-[azanyl-(3-sulfophenyl)carbonyl-amino]benzenesulfonic acid

Systemtic Name: 2-[azanyl-(3-sulfophenyl)carbonyl-amino]benzenesulfonic acid Openeye Name: 2-[amino-(3-sulfobenzoyl)amino]benzenesulfonic acid CAS Name: 2-[amino-[oxo-(3-sulfophenyl)methyl]amino]benzenesulfonic acid IUPAC Name: 2-[amino-(3-sulfobenzoyl)amino]benzenesulfonic acid Traditional Name: 2-[amino-(3-sulfobenzoyl)amino]besylic acid Formula: C13H12N2O7S2 MolecularWeight: 372.37358

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H12N2O7S2/c14-15(11-6-1-2-7-12(11)24(20,21)22)13(16)9-4-3-5-10(8-9)23(17,18)19/h1-8H,14H2,(H,17,18,19)(H,20,21,22)