2,6-bis(4-fluorophenyl)benzoic acid; 3,5-dimethyl-1H-pyrazole; iron

Systemtic Name: 2,6-bis(4-fluorophenyl)benzoic acid; 3,5-dimethyl-1H-pyrazole; iron Openeye Name: 2,6-bis(4-fluorophenyl)benzoic acid; 3,5-dimethyl-1H-pyrazole; iron CAS Name: 2,6-bis(4-fluorophenyl)benzoic acid; 3,5-dimethyl-1H-pyrazole; iron IUPAC Name: 2,6-bis(4-fluorophenyl)benzoic acid; 3,5-dimethyl-1H-pyrazole; iron Traditional Name: 2,6-bis(4-fluorophenyl)benzoic acid; 3,5-dimethyl-1H-pyrazole; iron Formula: C48H40F4FeN4O4 MolecularWeight: 868.694213

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1)C.CC1=CC(=NN1)C.C1=CC(=C(C(=C1)C2=CC=C(C=C2)F)C(=O)O)C3=CC=C(C=C3)F.C1=CC(=C(C(=C1)C2=CC=C(C=C2)F)C(=O)O)C3=CC=C(C=C3)F.[Fe]

Isomeric SMILES

CC1=CC(=NN1)C.CC1=CC(=NN1)C.C1=CC(=C(C(=C1)C2=CC=C(C=C2)F)C(=O)O)C3=CC=C(C=C3)F.C1=CC(=C(C(=C1)C2=CC=C(C=C2)F)C(=O)O)C3=CC=C(C=C3)F.[Fe]

InChI

InChI=1S/2C19H12F2O2.2C5H8N2.Fe/c2*20-14-8-4-12(5-9-14)16-2-1-3-17(18(16)19(22)23)13-6-10-15(21)11-7-13;2*1-4-3-5(2)7-6-4;/h2*1-11H,(H,22,23);2*3H,1-2H3,(H,6,7);