carbon monoxide; iron; N-[[2-(4-methoxycyclohexa-2,4-dien-1-yl)phenyl]methyl]-N-prop-2-enyl-prop-2-en-1-amine

Systemtic Name: carbon monoxide; iron; N-[[2-(4-methoxycyclohexa-2,4-dien-1-yl)phenyl]methyl]-N-prop-2-enyl-prop-2-en-1-amine Openeye Name: N-allyl-N-[[2-(4-methoxycyclohexa-2,4-dien-1-yl)phenyl]methyl]prop-2-en-1-amine; carbon monoxide; iron CAS Name: carbon monoxide; iron; N-[[2-(4-methoxy-1-cyclohexa-2,4-dienyl)phenyl]methyl]-N-prop-2-enyl-2-propen-1-amine IUPAC Name: carbon monoxide; iron; N-[[2-(4-methoxycyclohexa-2,4-dien-1-yl)phenyl]methyl]-N-prop-2-enylprop-2-en-1-amine Traditional Name: carbon monoxide; diallyl-[2-(4-methoxycyclohexa-2,4-dien-1-yl)benzyl]amine; iron Formula: C23H25FeNO4 MolecularWeight: 435.2939

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CCC(C=C1)C2=CC=CC=C2CN(CC=C)CC=C.[C-]#[O+].[C-]#[O+].[C-]#[O+].[Fe]

Isomeric SMILES

COC1=CCC(C=C1)C2=CC=CC=C2CN(CC=C)CC=C.[C-]#[O+].[C-]#[O+].[C-]#[O+].[Fe]

InChI

InChI=1S/C20H25NO.3CO.Fe/c1-4-14-21(15-5-2)16-18-8-6-7-9-20(18)17-10-12-19(22-3)13-11-17;3*1-2;/h4-10,12-13,17H,1-2,11,14-16H2,3H3;;;;