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

Systemtic Name: 3-[(6-chloranyl-1,4-dihydro-1,3,5-triazin-2-yl)sulfonyl]benzenesulfonic acid Openeye Name: 3-[(6-chloro-1,4-dihydro-1,3,5-triazin-2-yl)sulfonyl]benzenesulfonic acid CAS Name: 3-[(6-chloro-1,4-dihydro-1,3,5-triazin-2-yl)sulfonyl]benzenesulfonic acid IUPAC Name: 3-[(6-chloro-1,4-dihydro-1,3,5-triazin-2-yl)sulfonyl]benzenesulfonic acid Traditional Name: 3-[(6-chloro-1,4-dihydro-s-triazin-2-yl)sulfonyl]besylic acid Formula: C9H8ClN3O5S2 MolecularWeight: 337.75992

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H8ClN3O5S2/c10-8-11-5-12-9(13-8)19(14,15)6-2-1-3-7(4-6)20(16,17)18/h1-4H,5H2,(H,11,12,13)(H,16,17,18)