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

Systemtic Name: 3-[[6-(3-carboxyphenyl)sulfonyl-1,4-dihydro-1,3,5-triazin-2-yl]sulfonyl]benzoic acid Openeye Name: 3-[[6-(3-carboxyphenyl)sulfonyl-1,4-dihydro-1,3,5-triazin-2-yl]sulfonyl]benzoic acid CAS Name: 3-[[6-(3-carboxyphenyl)sulfonyl-1,4-dihydro-1,3,5-triazin-2-yl]sulfonyl]benzoic acid IUPAC Name: 3-[[6-(3-carboxyphenyl)sulfonyl-1,4-dihydro-1,3,5-triazin-2-yl]sulfonyl]benzoic acid Traditional Name: 3-[[6-(3-carboxyphenyl)sulfonyl-1,4-dihydro-s-triazin-2-yl]sulfonyl]benzoic acid Formula: C17H13N3O8S2 MolecularWeight: 451.43042

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1N=C(NC(=N1)S(=O)(=O)C2=CC=CC(=C2)C(=O)O)S(=O)(=O)C3=CC=CC(=C3)C(=O)O

Isomeric SMILES

C1N=C(NC(=N1)S(=O)(=O)C2=CC=CC(=C2)C(=O)O)S(=O)(=O)C3=CC=CC(=C3)C(=O)O

InChI

InChI=1S/C17H13N3O8S2/c21-14(22)10-3-1-5-12(7-10)29(25,26)16-18-9-19-17(20-16)30(27,28)13-6-2-4-11(8-13)15(23)24/h1-8H,9H2,(H,21,22)(H,23,24)(H,18,19,20)