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Molybdenum, dicarbonyl-bis(.eta.-4-R(+)-pulegone) carbon monoxide; 5-m

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摘 要:Molybdenum, dicarbonyl-bis(.eta.-4-R(+)-pulegone) carbon monoxide; 5-methyl-2-propan-2-ylcyclohexan-1-ol; molybdenum,Canonical SMILES: CC1CC[C-]([C-](C1)O)[C-](C)C.CC1CC[C-]([C-](C1)O)[C-](C)C.[C-]#[O+].[C-],#[O+].[Mo],InChI: InChI=1/2C10H17O.2CO.Mo/
[Synonyms]
Molybdenum, dicarbonyl-bis(.eta.-4-R(+)-pulegone)
[Structure]
Molybdenum, dicarbonyl-bis(.eta.-4-R(+)-pulegone) carbon monoxide; 5-m

[ Properties Computed from Structure]
Molecular Weight458.44296 [g/mol]
Molecular FormulaC22H34MoO4-6
H-Bond Donor2
H-Bond Acceptor10
Rotatable Bond Count0
Exact Mass460.151117
MonoIsotopic Mass460.151117
Topological Polar Surface Area42.5
Heavy Atom Count27
Formal Charge-6
Complexity363
Isotope Atom Count0
Defined Atom StereoCenter Count0
Undefined Atom StereoCenter Count2
Defined Bond StereoCenter Count0
Undefined Bond StereoCenter Count0
Covalently-Bonded Unit Count5

[ Descriptors Computed from Structure]
IUPAC Name: carbon monoxide; 5-methyl-2-propan-2-ylcyclohexan-1-ol; molybdenum
Canonical SMILES: CC1CC[C-]([C-](C1)O)[C-](C)C.CC1CC[C-]([C-](C1)O)[C-](C)C.[C-]#[O+].[C-]
#[O+].[Mo]
InChI: InChI=1/2C10H17O.2CO.Mo/c2*1-7(2)9-5-4-8(3)6-10(9)11;2*1-2;/h2*8,11H,
4-6H2,1-3H3;;;/q2*-3;;;

 
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