carbon monoxide; iron; (2E,4E,6S,7R)-7-methyl-6-oxidanyl-nona-2,4,8-trienal

Systemtic Name: carbon monoxide; iron; (2E,4E,6S,7R)-7-methyl-6-oxidanyl-nona-2,4,8-trienal Openeye Name: carbon monoxide; (2E,4E,6S,7R)-6-hydroxy-7-methyl-nona-2,4,8-trienal; iron CAS Name: carbon monoxide; (2E,4E,6S,7R)-6-hydroxy-7-methylnona-2,4,8-trienal; iron IUPAC Name: carbon monoxide; (2E,4E,6S,7R)-6-hydroxy-7-methylnona-2,4,8-trienal; iron Traditional Name: carbon monoxide; (2E,4E,6S,7R)-6-hydroxy-7-methyl-nona-2,4,8-trienal; iron Formula: C13H14FeO5 MolecularWeight: 306.09226

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C[C@H](C=C)[C@H](/C=C/C=C/C=O)O.[C-]#[O+].[C-]#[O+].[C-]#[O+].[Fe]

InChI

InChI=1S/C10H14O2.3CO.Fe/c1-3-9(2)10(12)7-5-4-6-8-11;3*1-2;/h3-10,12H,1H2,2H3;;;;/b6-4+,7-5+;;;;/t9-,10+;;;;/m1..../s1