carbon monoxide; methyl 5-methyl-2-(phenylsulfonyl)hexanoate; molybdenum(2+); tri(imidazol-1-yl)boron(1-)

Systemtic Name: carbon monoxide; methyl 5-methyl-2-(phenylsulfonyl)hexanoate; molybdenum(2+); tri(imidazol-1-yl)boron(1-) Openeye Name: carbon monoxide; methyl 2-(benzenesulfonyl)-5-methyl-hexanoate; molybdenum(2+); tri(imidazol-1-yl)boron(1-) CAS Name: 2-(benzenesulfonyl)-5-methylhexanoic acid methyl ester; carbon monoxide; molybdenum(2+); tris(1-imidazolyl)boron(1-) IUPAC Name: carbon monoxide; methyl 2-(benzenesulfonyl)-5-methylhexanoate; molybdenum(2+); tri(imidazol-1-yl)boron(1-) Traditional Name: 2-besyl-5-methyl-hexanoic acid methyl ester; carbon monoxide; molybdenum(2+); tri(imidazol-1-yl)boron(1-) Formula: C25H26BMoN6O6S+ MolecularWeight: 645.32654

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Descriptors Computed from Structure

Canonical SMILES:

[B-](N1C=CN=C1)(N2C=CN=C2)N3C=CN=C3.C[C]([CH2])[CH]CC(C(=O)OC)S(=O)(=O)C1=CC=CC=C1.[C-]#[O+].[C-]#[O+].[Mo+2]

Isomeric SMILES

[B-](N1C=CN=C1)(N2C=CN=C2)N3C=CN=C3.C[C]([CH2])[CH]CC(C(=O)OC)S(=O)(=O)C1=CC=CC=C1.[C-]#[O+].[C-]#[O+].[Mo+2]

InChI

InChI=1S/C14H17O4S.C9H9BN6.2CO.Mo/c1-11(2)9-10-13(14(15)18-3)19(16,17)12-7-5-4-6-8-12;1-4-14(7-11-1)10(15-5-2-12-8-15)16-6-3-13-9-16;2*1-2;/h4-9,13H,1,10H2,2-3H3;1-9H;;;/q;-1;;;+2