5-azanyl-2-methoxy-6-(3-methoxycyclohexa-2,4-dien-1-yl)-3,4-dimethyl-phenol; carbon monoxide; iron

Systemtic Name: 5-azanyl-2-methoxy-6-(3-methoxycyclohexa-2,4-dien-1-yl)-3,4-dimethyl-phenol; carbon monoxide; iron Openeye Name: 5-amino-2-methoxy-6-(3-methoxycyclohexa-2,4-dien-1-yl)-3,4-dimethyl-phenol; carbon monoxide; iron CAS Name: 5-amino-2-methoxy-6-(3-methoxy-1-cyclohexa-2,4-dienyl)-3,4-dimethylphenol; carbon monoxide; iron IUPAC Name: 5-amino-2-methoxy-6-(3-methoxycyclohexa-2,4-dien-1-yl)-3,4-dimethylphenol; carbon monoxide; iron Traditional Name: 5-amino-2-methoxy-6-(3-methoxycyclohexa-2,4-dien-1-yl)-3,4-dimethyl-phenol; carbon monoxide; iron Formula: C19H21FeNO6 MolecularWeight: 415.21814

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C(=C1N)C2CC=CC(=C2)OC)O)OC)C.[C-]#[O+].[C-]#[O+].[C-]#[O+].[Fe]

Isomeric SMILES

CC1=C(C(=C(C(=C1N)C2CC=CC(=C2)OC)O)OC)C.[C-]#[O+].[C-]#[O+].[C-]#[O+].[Fe]

InChI

InChI=1S/C16H21NO3.3CO.Fe/c1-9-10(2)16(20-4)15(18)13(14(9)17)11-6-5-7-12(8-11)19-3;3*1-2;/h5,7-8,11,18H,6,17H2,1-4H3;;;;