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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)S(=O)(=O)O)S(=O)(=O)N2NC(=CC=N2)Cl

Isomeric SMILES

C1=CC(=CC(=C1)S(=O)(=O)O)S(=O)(=O)N2NC(=CC=N2)Cl

InChI

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