3-[1,2-bis(chloranyl)-3-methyl-5-oxidanylidene-pyrazol-4-yl]benzenesulfonic acid

Systemtic Name: 3-[1,2-bis(chloranyl)-3-methyl-5-oxidanylidene-pyrazol-4-yl]benzenesulfonic acid Openeye Name: 3-(1,2-dichloro-3-methyl-5-oxo-pyrazol-4-yl)benzenesulfonic acid CAS Name: 3-(1,2-dichloro-3-methyl-5-oxo-4-pyrazolyl)benzenesulfonic acid IUPAC Name: 3-(1,2-dichloro-3-methyl-5-oxopyrazol-4-yl)benzenesulfonic acid Traditional Name: 3-(1,2-dichloro-3-keto-5-methyl-3-pyrazolin-4-yl)besylic acid Formula: C10H8Cl2N2O4S MolecularWeight: 323.15252

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1Cl)Cl)C2=CC(=CC=C2)S(=O)(=O)O

Isomeric SMILES

CC1=C(C(=O)N(N1Cl)Cl)C2=CC(=CC=C2)S(=O)(=O)O

InChI

InChI=1S/C10H8Cl2N2O4S/c1-6-9(10(15)14(12)13(6)11)7-3-2-4-8(5-7)19(16,17)18/h2-5H,1H3,(H,16,17,18)