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

Systemtic Name: 4-[4-[(2,4-dichlorophenyl)methylidene]-3-methyl-5-oxidanylidene-pyrazol-1-yl]benzenesulfonic acid Openeye Name: 4-[4-[(2,4-dichlorophenyl)methylene]-3-methyl-5-oxo-pyrazol-1-yl]benzenesulfonic acid CAS Name: 4-[4-[(2,4-dichlorophenyl)methylidene]-3-methyl-5-oxo-1-pyrazolyl]benzenesulfonic acid IUPAC Name: 4-[4-[(2,4-dichlorophenyl)methylidene]-3-methyl-5-oxopyrazol-1-yl]benzenesulfonic acid Traditional Name: 4-[4-(2,4-dichlorobenzylidene)-5-keto-3-methyl-2-pyrazolin-1-yl]besylic acid Formula: C17H12Cl2N2O4S MolecularWeight: 411.25918

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1=CC2=C(C=C(C=C2)Cl)Cl)C3=CC=C(C=C3)S(=O)(=O)O

Isomeric SMILES

CC1=NN(C(=O)C1=CC2=C(C=C(C=C2)Cl)Cl)C3=CC=C(C=C3)S(=O)(=O)O

InChI

InChI=1S/C17H12Cl2N2O4S/c1-10-15(8-11-2-3-12(18)9-16(11)19)17(22)21(20-10)13-4-6-14(7-5-13)26(23,24)25/h2-9H,1H3,(H,23,24,25)