calcium 3-[3,5-bis(chloranyl)-4-methyl-phenyl]-1H-pyridazin-6-one

Systemtic Name: calcium 3-[3,5-bis(chloranyl)-4-methyl-phenyl]-1H-pyridazin-6-one Openeye Name: calcium 3-(3,5-dichloro-4-methyl-phenyl)-1H-pyridazin-6-one CAS Name: calcium 3-(3,5-dichloro-4-methylphenyl)-1H-pyridazin-6-one IUPAC Name: calcium 3-(3,5-dichloro-4-methylphenyl)-1H-pyridazin-6-one Traditional Name: calcium 3-(3,5-dichloro-4-methyl-phenyl)-1H-pyridazin-6-one Formula: C11H8CaCl2N2O+2 MolecularWeight: 295.17802

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1Cl)C2=NNC(=O)C=C2)Cl.[Ca+2]

Isomeric SMILES

CC1=C(C=C(C=C1Cl)C2=NNC(=O)C=C2)Cl.[Ca+2]

InChI

InChI=1S/C11H8Cl2N2O.Ca/c1-6-8(12)4-7(5-9(6)13)10-2-3-11(16)15-14-10;/h2-5H,1H3,(H,15,16);/q;+2