carbon monoxide; iron(2+); (1S,3S,4S)-2-methanidyl-3-methyl-4-oxidanyl-3-(oxidanylidenemethyl)cyclohexane-1-carbonitrile

Systemtic Name: carbon monoxide; iron(2+); (1S,3S,4S)-2-methanidyl-3-methyl-4-oxidanyl-3-(oxidanylidenemethyl)cyclohexane-1-carbonitrile Openeye Name: ferrous; carbon monoxide; (1S,3S,4S)-4-hydroxy-2-methanidyl-3-methyl-3-(oxomethyl)cyclohexanecarbonitrile CAS Name: carbon monoxide; (1S,3S,4S)-4-hydroxy-2-methanidyl-3-methyl-3-(oxomethyl)-1-cyclohexanecarbonitrile; iron(2+) IUPAC Name: carbon monoxide; (1S,3S,4S)-4-hydroxy-2-methanidyl-3-methyl-3-(oxomethyl)cyclohexane-1-carbonitrile; iron(2+) Traditional Name: ferrous; carbon monoxide; (1S,3S,4S)-4-hydroxy-3-(ketomethyl)-2-methanidyl-3-methyl-cyclohexanecarbonitrile Formula: C14H13FeNO6 MolecularWeight: 347.10112

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(C(CCC1O)C#N)[CH2-])[C-]=O.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[Fe+2]

Isomeric SMILES

C[C@]1([C@H](CC[C@@H](C1[CH2-])C#N)O)[C-]=O.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[Fe+2]

InChI

InChI=1S/C10H13NO2.4CO.Fe/c1-7-8(5-11)3-4-9(13)10(7,2)6-12;4*1-2;/h7-9,13H,1,3-4H2,2H3;;;;;/q-2;;;;;+2/t7?,8-,9+,10+;;;;;/m1...../s1