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

Systemtic Name: calcium 2-[3-(4-chlorophenyl)-1-phenyl-pyrazol-4-yl]ethanoic acid Openeye Name: calcium 2-[3-(4-chlorophenyl)-1-phenyl-pyrazol-4-yl]acetic acid CAS Name: calcium 2-[3-(4-chlorophenyl)-1-phenyl-4-pyrazolyl]acetic acid IUPAC Name: calcium 2-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]acetic acid Traditional Name: calcium 2-[3-(4-chlorophenyl)-1-phenyl-pyrazol-4-yl]acetic acid Formula: C34H26CaCl2N4O4+2 MolecularWeight: 665.57864

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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