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

Systemtic Name: 2-azanyl-5-(4-azanyl-3-sulfo-phenyl)carbonyl-benzenesulfonic acid Openeye Name: 2-amino-5-(4-amino-3-sulfo-benzoyl)benzenesulfonic acid CAS Name: 2-amino-5-[(4-amino-3-sulfophenyl)-oxomethyl]benzenesulfonic acid IUPAC Name: 2-amino-5-(4-amino-3-sulfobenzoyl)benzenesulfonic acid Traditional Name: 2-amino-5-(4-amino-3-sulfo-benzoyl)besylic acid Formula: C13H12N2O7S2 MolecularWeight: 372.37358

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C(=O)C2=CC(=C(C=C2)N)S(=O)(=O)O)S(=O)(=O)O)N

Isomeric SMILES

C1=CC(=C(C=C1C(=O)C2=CC(=C(C=C2)N)S(=O)(=O)O)S(=O)(=O)O)N

InChI

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