2,2-bis(3,5-ditert-butylpyrazol-1-yl)ethanoic acid; iron

Systemtic Name: 2,2-bis(3,5-ditert-butylpyrazol-1-yl)ethanoic acid; iron Openeye Name: 2,2-bis(3,5-ditert-butylpyrazol-1-yl)acetic acid; iron CAS Name: 2,2-bis(3,5-ditert-butyl-1-pyrazolyl)acetic acid; iron IUPAC Name: 2,2-bis(3,5-ditert-butylpyrazol-1-yl)acetic acid; iron Traditional Name: 2,2-bis(3,5-ditert-butylpyrazol-1-yl)acetic acid; iron Formula: C48H80FeN8O4 MolecularWeight: 889.045

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=NN1C(C(=O)O)N2C(=CC(=N2)C(C)(C)C)C(C)(C)C)C(C)(C)C.CC(C)(C)C1=CC(=NN1C(C(=O)O)N2C(=CC(=N2)C(C)(C)C)C(C)(C)C)C(C)(C)C.[Fe]

Isomeric SMILES

CC(C)(C)C1=CC(=NN1C(C(=O)O)N2C(=CC(=N2)C(C)(C)C)C(C)(C)C)C(C)(C)C.CC(C)(C)C1=CC(=NN1C(C(=O)O)N2C(=CC(=N2)C(C)(C)C)C(C)(C)C)C(C)(C)C.[Fe]

InChI

InChI=1S/2C24H40N4O2.Fe/c2*1-21(2,3)15-13-17(23(7,8)9)27(25-15)19(20(29)30)28-18(24(10,11)12)14-16(26-28)22(4,5)6;/h2*13-14,19H,1-12H3,(H,29,30);