(2,4-dichlorophenyl)-(2,5-dimethyl-4-oxidanyl-3H-pyrazol-4-yl)methanone; 4-methylbenzenesulfonic acid

Systemtic Name: (2,4-dichlorophenyl)-(2,5-dimethyl-4-oxidanyl-3H-pyrazol-4-yl)methanone; 4-methylbenzenesulfonic acid Openeye Name: (2,4-dichlorophenyl)-(4-hydroxy-2,5-dimethyl-3H-pyrazol-4-yl)methanone; 4-methylbenzenesulfonic acid CAS Name: (2,4-dichlorophenyl)-(4-hydroxy-2,5-dimethyl-3H-pyrazol-4-yl)methanone; 4-methylbenzenesulfonic acid IUPAC Name: (2,4-dichlorophenyl)-(4-hydroxy-2,5-dimethyl-3H-pyrazol-4-yl)methanone; 4-methylbenzenesulfonic acid Traditional Name: (2,4-dichlorophenyl)-(4-hydroxy-1,3-dimethyl-2-pyrazolin-4-yl)methanone; tosylic acid Formula: C19H20Cl2N2O5S MolecularWeight: 459.3435

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)O.CC1=NN(CC1(C(=O)C2=C(C=C(C=C2)Cl)Cl)O)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O.CC1=NN(CC1(C(=O)C2=C(C=C(C=C2)Cl)Cl)O)C

InChI

InChI=1S/C12H12Cl2N2O2.C7H8O3S/c1-7-12(18,6-16(2)15-7)11(17)9-4-3-8(13)5-10(9)14;1-6-2-4-7(5-3-6)11(8,9)10/h3-5,18H,6H2,1-2H3;2-5H,1H3,(H,8,9,10)