deuterio-tris[3,5-di(propan-2-yl)pyrazol-1-yl]boranuide; iron; 4-nitrobenzoic acid

Systemtic Name: deuterio-tris[3,5-di(propan-2-yl)pyrazol-1-yl]boranuide; iron; 4-nitrobenzoic acid Openeye Name: deuterio-tris(3,5-diisopropylpyrazol-1-yl)boranuide; iron; 4-nitrobenzoic acid CAS Name: deuterio-tris[3,5-di(propan-2-yl)-1-pyrazolyl]boranuide; iron; 4-nitrobenzoic acid IUPAC Name: deuterio-tris[3,5-di(propan-2-yl)pyrazol-1-yl]boranuide; iron; 4-nitrobenzoic acid Traditional Name: deuterio-tris(3,5-diisopropylpyrazol-1-yl)boranuide; iron; 4-nitrobenzoic acid Formula: C34H51BFeN7O4- MolecularWeight: 689.475402

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Descriptors Computed from Structure

Canonical SMILES:

[BH-](N1C(=CC(=N1)C(C)C)C(C)C)(N2C(=CC(=N2)C(C)C)C(C)C)N3C(=CC(=N3)C(C)C)C(C)C.C1=CC(=CC=C1C(=O)O)[N+](=O)[O-].[Fe]

Isomeric SMILES

[2H][B-](N1C(=CC(=N1)C(C)C)C(C)C)(N2C(=CC(=N2)C(C)C)C(C)C)N3C(=CC(=N3)C(C)C)C(C)C.C1=CC(=CC=C1C(=O)O)[N+](=O)[O-].[Fe]

InChI

InChI=1S/C27H46BN6.C7H5NO4.Fe/c1-16(2)22-13-25(19(7)8)32(29-22)28(33-26(20(9)10)14-23(30-33)17(3)4)34-27(21(11)12)15-24(31-34)18(5)6;9-7(10)5-1-3-6(4-2-5)8(11)12;/h13-21,28H,1-12H3;1-4H,(H,9,10);/q-1;;/i28D;;