4-[[4-[(4-carboxyphenyl)amino]-6-sulfooxy-1,3,5-triazin-2-yl]amino]benzoic acid

Systemtic Name: 4-[[4-[(4-carboxyphenyl)amino]-6-sulfooxy-1,3,5-triazin-2-yl]amino]benzoic acid Openeye Name: 4-[[4-(4-carboxyanilino)-6-sulfooxy-1,3,5-triazin-2-yl]amino]benzoic acid CAS Name: 4-[[4-(4-carboxyanilino)-6-sulfooxy-1,3,5-triazin-2-yl]amino]benzoic acid IUPAC Name: 4-[[4-(4-carboxyanilino)-6-sulfooxy-1,3,5-triazin-2-yl]amino]benzoic acid Traditional Name: 4-[[4-(4-carboxyanilino)-6-sulfoxy-s-triazin-2-yl]amino]benzoic acid Formula: C17H13N5O8S MolecularWeight: 447.37882

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)O)NC2=NC(=NC(=N2)OS(=O)(=O)O)NC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

C1=CC(=CC=C1C(=O)O)NC2=NC(=NC(=N2)OS(=O)(=O)O)NC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C17H13N5O8S/c23-13(24)9-1-5-11(6-2-9)18-15-20-16(22-17(21-15)30-31(27,28)29)19-12-7-3-10(4-8-12)14(25)26/h1-8H,(H,23,24)(H,25,26)(H,27,28,29)(H2,18,19,20,21,22)