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

Systemtic Name: 5-azanyl-2-[[2-[(4-azanyl-2-sulfo-phenyl)amino]-2-oxidanylidene-ethanoyl]amino]benzenesulfonic acid Openeye Name: 5-amino-2-[[2-(4-amino-2-sulfo-anilino)-2-oxo-acetyl]amino]benzenesulfonic acid CAS Name: 5-amino-2-[[2-(4-amino-2-sulfoanilino)-1,2-dioxoethyl]amino]benzenesulfonic acid IUPAC Name: 5-amino-2-[[2-(4-amino-2-sulfoanilino)-2-oxoacetyl]amino]benzenesulfonic acid Traditional Name: 5-amino-2-[[2-(4-amino-2-sulfo-anilino)-2-keto-acetyl]amino]besylic acid Formula: C14H14N4O8S2 MolecularWeight: 430.41296

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H14N4O8S2/c15-7-1-3-9(11(5-7)27(21,22)23)17-13(19)14(20)18-10-4-2-8(16)6-12(10)28(24,25)26/h1-6H,15-16H2,(H,17,19)(H,18,20)(H,21,22,23)(H,24,25,26)