calcium 2-[3-(4-chlorophenyl)-1-phenyl-pyrazol-4-yl]ethanoate

Systemtic Name: calcium 2-[3-(4-chlorophenyl)-1-phenyl-pyrazol-4-yl]ethanoate Openeye Name: calcium 2-[3-(4-chlorophenyl)-1-phenyl-pyrazol-4-yl]acetate CAS Name: calcium 2-[3-(4-chlorophenyl)-1-phenyl-4-pyrazolyl]acetate IUPAC Name: calcium 2-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]acetate Traditional Name: calcium 2-[3-(4-chlorophenyl)-1-phenyl-pyrazol-4-yl]acetate Formula: C34H24CaCl2N4O4 MolecularWeight: 663.56276

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC=C(C=C3)Cl)CC(=O)[O-].C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC=C(C=C3)Cl)CC(=O)[O-].[Ca+2]

Isomeric SMILES

C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC=C(C=C3)Cl)CC(=O)[O-].C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC=C(C=C3)Cl)CC(=O)[O-].[Ca+2]

InChI

InChI=1S/2C17H13ClN2O2.Ca/c2*18-14-8-6-12(7-9-14)17-13(10-16(21)22)11-20(19-17)15-4-2-1-3-5-15;/h2*1-9,11H,10H2,(H,21,22);/q;;+2/p-2