carbon monoxide; iron(2+); (E)-3-methylpent-2-en-1-one; 1,2,3,4,5-pentamethylcyclopentane

Systemtic Name: carbon monoxide; iron(2+); (E)-3-methylpent-2-en-1-one; 1,2,3,4,5-pentamethylcyclopentane Openeye Name: ferrous; carbon monoxide; (E)-3-methylpent-2-en-1-one; 1,2,3,4,5-pentamethylcyclopentane CAS Name: carbon monoxide; iron(2+); (E)-3-methyl-2-penten-1-one; 1,2,3,4,5-pentamethylcyclopentane IUPAC Name: carbon monoxide; iron(2+); (E)-3-methylpent-2-en-1-one; 1,2,3,4,5-pentamethylcyclopentane Traditional Name: ferrous; carbon monoxide; (E)-3-methylpent-2-en-1-one; 1,2,3,4,5-pentamethylcyclopentane Formula: C18H24FeO3+ MolecularWeight: 344.22636

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=C[C-]=O)C.C[C]1[C]([C]([C]([C]1C)C)C)C.[C-]#[O+].[C-]#[O+].[Fe+2]

Isomeric SMILES

CC/C(=C/[C-]=O)/C.C[C]1[C]([C]([C]([C]1C)C)C)C.[C-]#[O+].[C-]#[O+].[Fe+2]

InChI

InChI=1S/C10H15.C6H9O.2CO.Fe/c1-6-7(2)9(4)10(5)8(6)3;1-3-6(2)4-5-7;2*1-2;/h1-5H3;4H,3H2,1-2H3;;;/q;-1;;;+2/b;6-4+;;;