3-chloranyl-5-methyl-4-(5-methyl-3-oxidanylidene-1H-pyrazol-2-yl)benzenesulfonic acid

Systemtic Name: 3-chloranyl-5-methyl-4-(5-methyl-3-oxidanylidene-1H-pyrazol-2-yl)benzenesulfonic acid Openeye Name: 3-chloro-5-methyl-4-(5-methyl-3-oxo-1H-pyrazol-2-yl)benzenesulfonic acid CAS Name: 3-chloro-5-methyl-4-(5-methyl-3-oxo-1H-pyrazol-2-yl)benzenesulfonic acid IUPAC Name: 3-chloro-5-methyl-4-(5-methyl-3-oxo-1H-pyrazol-2-yl)benzenesulfonic acid Traditional Name: 3-chloro-4-(5-keto-3-methyl-3-pyrazolin-1-yl)-5-methyl-besylic acid Formula: C11H11ClN2O4S MolecularWeight: 302.73404

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1N2C(=O)C=C(N2)C)Cl)S(=O)(=O)O

Isomeric SMILES

CC1=CC(=CC(=C1N2C(=O)C=C(N2)C)Cl)S(=O)(=O)O

InChI

InChI=1S/C11H11ClN2O4S/c1-6-3-8(19(16,17)18)5-9(12)11(6)14-10(15)4-7(2)13-14/h3-5,13H,1-2H3,(H,16,17,18)