carbon monoxide; molybdenum(2+); (phenylmethyl) (2S,6S)-3-methyl-6-pentyl-2-(3-phenylmethoxypropyl)-2,6-dihydropyridine-1-carboxylate; tri(pyrazol-1-yl)boron(1-)

Systemtic Name: carbon monoxide; molybdenum(2+); (phenylmethyl) (2S,6S)-3-methyl-6-pentyl-2-(3-phenylmethoxypropyl)-2,6-dihydropyridine-1-carboxylate; tri(pyrazol-1-yl)boron(1-) Openeye Name: benzyl (2S,6S)-2-(3-benzyloxypropyl)-3-methyl-6-pentyl-2,6-dihydropyridine-1-carboxylate; carbon monoxide; molybdenum(2+); tri(pyrazol-1-yl)boron(1-) CAS Name: carbon monoxide; (2S,6S)-3-methyl-6-pentyl-2-(3-phenylmethoxypropyl)-2,6-dihydropyridine-1-carboxylic acid (phenylmethyl) ester; molybdenum(2+); tris(1-pyrazolyl)boron(1-) IUPAC Name: benzyl (2S,6S)-3-methyl-6-pentyl-2-(3-phenylmethoxypropyl)-2,6-dihydropyridine-1-carboxylate; carbon monoxide; molybdenum(2+); tri(pyrazol-1-yl)boron(1-) Traditional Name: (2S,6S)-6-amyl-2-(3-benzoxypropyl)-3-methyl-2,6-dihydropyridine-1-carboxylic acid benzyl ester; carbon monoxide; molybdenum(2+); tri(pyrazol-1-yl)boron(1-) Formula: C40H47BMoN7O5+ MolecularWeight: 812.59608

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Descriptors Computed from Structure

Canonical SMILES:

[B-](N1C=CC=N1)(N2C=CC=N2)N3C=CC=N3.CCCCCC1[CH][CH][C](C(N1C(=O)OCC2=CC=CC=C2)CCCOCC3=CC=CC=C3)C.[C-]#[O+].[C-]#[O+].[Mo+2]

Isomeric SMILES

[B-](N1C=CC=N1)(N2C=CC=N2)N3C=CC=N3.CCCCC[C@@H]1[CH][CH][C]([C@@H](N1C(=O)OCC2=CC=CC=C2)CCCOCC3=CC=CC=C3)C.[C-]#[O+].[C-]#[O+].[Mo+2]

InChI

InChI=1S/C29H38NO3.C9H9BN6.2CO.Mo/c1-3-4-7-17-27-20-19-24(2)28(18-12-21-32-22-25-13-8-5-9-14-25)30(27)29(31)33-23-26-15-10-6-11-16-26;1-4-11-14(7-1)10(15-8-2-5-12-15)16-9-3-6-13-16;2*1-2;/h5-6,8-11,13-16,19-20,27-28H,3-4,7,12,17-18,21-23H2,1-2H3;1-9H;;;/q;-1;;;+2/t27-,28+;;;;/m1..../s1