[5-azanyl-2,4-dimethoxy-6-(3-methoxycyclohexa-2,4-dien-1-yl)-3-methyl-phenyl] ethanoate; carbon monoxide; iron

Systemtic Name: [5-azanyl-2,4-dimethoxy-6-(3-methoxycyclohexa-2,4-dien-1-yl)-3-methyl-phenyl] ethanoate; carbon monoxide; iron Openeye Name: [5-amino-2,4-dimethoxy-6-(3-methoxycyclohexa-2,4-dien-1-yl)-3-methyl-phenyl] acetate; carbon monoxide; iron CAS Name: acetic acid [5-amino-2,4-dimethoxy-6-(3-methoxy-1-cyclohexa-2,4-dienyl)-3-methylphenyl] ester; carbon monoxide; iron IUPAC Name: [5-amino-2,4-dimethoxy-6-(3-methoxycyclohexa-2,4-dien-1-yl)-3-methylphenyl] acetate; carbon monoxide; iron Traditional Name: acetic acid [5-amino-2,4-dimethoxy-6-(3-methoxycyclohexa-2,4-dien-1-yl)-3-methyl-phenyl] ester; carbon monoxide; iron Formula: C21H23FeNO8 MolecularWeight: 473.25422

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C(=C1OC)OC(=O)C)C2CC=CC(=C2)OC)N)OC.[C-]#[O+].[C-]#[O+].[C-]#[O+].[Fe]

Isomeric SMILES

CC1=C(C(=C(C(=C1OC)OC(=O)C)C2CC=CC(=C2)OC)N)OC.[C-]#[O+].[C-]#[O+].[C-]#[O+].[Fe]

InChI

InChI=1S/C18H23NO5.3CO.Fe/c1-10-16(22-4)15(19)14(12-7-6-8-13(9-12)21-3)18(17(10)23-5)24-11(2)20;3*1-2;/h6,8-9,12H,7,19H2,1-5H3;;;;