3-(3-azanyl-6-chloranyl-2H-1,3,5-triazin-4-yl)benzenesulfonic acid

Systemtic Name: 3-(3-azanyl-6-chloranyl-2H-1,3,5-triazin-4-yl)benzenesulfonic acid Openeye Name: 3-(3-amino-6-chloro-2H-1,3,5-triazin-4-yl)benzenesulfonic acid CAS Name: 3-(3-amino-6-chloro-2H-1,3,5-triazin-4-yl)benzenesulfonic acid IUPAC Name: 3-(3-amino-6-chloro-2H-1,3,5-triazin-4-yl)benzenesulfonic acid Traditional Name: 3-(3-amino-6-chloro-2H-s-triazin-4-yl)besylic acid Formula: C9H9ClN4O3S MolecularWeight: 288.71076

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Descriptors Computed from Structure

Canonical SMILES:

C1N=C(N=C(N1N)C2=CC(=CC=C2)S(=O)(=O)O)Cl

Isomeric SMILES

C1N=C(N=C(N1N)C2=CC(=CC=C2)S(=O)(=O)O)Cl

InChI

InChI=1S/C9H9ClN4O3S/c10-9-12-5-14(11)8(13-9)6-2-1-3-7(4-6)18(15,16)17/h1-4H,5,11H2,(H,15,16,17)