carbon monoxide; 3,4-dimethoxy-2-(3-methoxycyclohexa-2,4-dien-1-yl)-5,6-dimethyl-aniline; iron

Systemtic Name: carbon monoxide; 3,4-dimethoxy-2-(3-methoxycyclohexa-2,4-dien-1-yl)-5,6-dimethyl-aniline; iron Openeye Name: carbon monoxide; 3,4-dimethoxy-2-(3-methoxycyclohexa-2,4-dien-1-yl)-5,6-dimethyl-aniline; iron CAS Name: carbon monoxide; 3,4-dimethoxy-2-(3-methoxy-1-cyclohexa-2,4-dienyl)-5,6-dimethylaniline; iron IUPAC Name: carbon monoxide; 3,4-dimethoxy-2-(3-methoxycyclohexa-2,4-dien-1-yl)-5,6-dimethylaniline; iron Traditional Name: carbon monoxide; [3,4-dimethoxy-2-(3-methoxycyclohexa-2,4-dien-1-yl)-5,6-dimethyl-phenyl]amine; iron Formula: C20H23FeNO6 MolecularWeight: 429.24472

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H23NO3.3CO.Fe/c1-10-11(2)16(20-4)17(21-5)14(15(10)18)12-7-6-8-13(9-12)19-3;3*1-2;/h6,8-9,12H,7,18H2,1-5H3;;;;