4-azanylidene-5-cyclohexa-2,4-dien-1-yl-3-heptyl-2-methyl-cyclohexa-2,5-dien-1-one; carbon monoxide; iron

Systemtic Name: 4-azanylidene-5-cyclohexa-2,4-dien-1-yl-3-heptyl-2-methyl-cyclohexa-2,5-dien-1-one; carbon monoxide; iron Openeye Name: carbon monoxide; 5-cyclohexa-2,4-dien-1-yl-3-heptyl-4-imino-2-methyl-cyclohexa-2,5-dien-1-one; iron CAS Name: carbon monoxide; 5-(1-cyclohexa-2,4-dienyl)-3-heptyl-4-imino-2-methyl-1-cyclohexa-2,5-dienone; iron IUPAC Name: carbon monoxide; 5-cyclohexa-2,4-dien-1-yl-3-heptyl-4-imino-2-methylcyclohexa-2,5-dien-1-one; iron Traditional Name: carbon monoxide; 5-cyclohexa-2,4-dien-1-yl-3-heptyl-4-imino-2-methyl-cyclohexa-2,5-dien-1-one; iron Formula: C23H27FeNO4 MolecularWeight: 437.30978

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=C(C(=O)C=C(C1=N)C2CC=CC=C2)C.[C-]#[O+].[C-]#[O+].[C-]#[O+].[Fe]

Isomeric SMILES

CCCCCCCC1=C(C(=O)C=C(C1=N)C2CC=CC=C2)C.[C-]#[O+].[C-]#[O+].[C-]#[O+].[Fe]

InChI

InChI=1S/C20H27NO.3CO.Fe/c1-3-4-5-6-10-13-17-15(2)19(22)14-18(20(17)21)16-11-8-7-9-12-16;3*1-2;/h7-9,11,14,16,21H,3-6,10,12-13H2,1-2H3;;;;