calcium 4-(2,4-dichlorophenyl)carbonyl-2,5-dimethyl-1H-pyrazol-3-one

Systemtic Name: calcium 4-(2,4-dichlorophenyl)carbonyl-2,5-dimethyl-1H-pyrazol-3-one Openeye Name: calcium 4-(2,4-dichlorobenzoyl)-2,5-dimethyl-1H-pyrazol-3-one CAS Name: calcium 4-[(2,4-dichlorophenyl)-oxomethyl]-2,5-dimethyl-1H-pyrazol-3-one IUPAC Name: calcium 4-(2,4-dichlorobenzoyl)-2,5-dimethyl-1H-pyrazol-3-one Traditional Name: calcium 4-(2,4-dichlorobenzoyl)-2,5-dimethyl-3-pyrazolin-3-one Formula: C12H10CaCl2N2O2+2 MolecularWeight: 325.204

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1)C)C(=O)C2=C(C=C(C=C2)Cl)Cl.[Ca+2]

Isomeric SMILES

CC1=C(C(=O)N(N1)C)C(=O)C2=C(C=C(C=C2)Cl)Cl.[Ca+2]

InChI

InChI=1S/C12H10Cl2N2O2.Ca/c1-6-10(12(18)16(2)15-6)11(17)8-4-3-7(13)5-9(8)14;/h3-5,15H,1-2H3;/q;+2