carbon monoxide; iron; 2-[3-(4-methoxycyclohexa-1,3-dien-1-yl)propyl]isoindole-1,3-dione

Systemtic Name: carbon monoxide; iron; 2-[3-(4-methoxycyclohexa-1,3-dien-1-yl)propyl]isoindole-1,3-dione Openeye Name: carbon monoxide; iron; 2-[3-(4-methoxycyclohexa-1,3-dien-1-yl)propyl]isoindoline-1,3-dione CAS Name: carbon monoxide; iron; 2-[3-(4-methoxy-1-cyclohexa-1,3-dienyl)propyl]isoindole-1,3-dione IUPAC Name: carbon monoxide; iron; 2-[3-(4-methoxycyclohexa-1,3-dien-1-yl)propyl]isoindole-1,3-dione Traditional Name: carbon monoxide; iron; 2-[3-(4-methoxycyclohexa-1,3-dien-1-yl)propyl]isoindoline-1,3-quinone Formula: C21H19FeNO6 MolecularWeight: 437.22366

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(CC1)CCCN2C(=O)C3=CC=CC=C3C2=O.[C-]#[O+].[C-]#[O+].[C-]#[O+].[Fe]

Isomeric SMILES

COC1=CC=C(CC1)CCCN2C(=O)C3=CC=CC=C3C2=O.[C-]#[O+].[C-]#[O+].[C-]#[O+].[Fe]

InChI

InChI=1S/C18H19NO3.3CO.Fe/c1-22-14-10-8-13(9-11-14)5-4-12-19-17(20)15-6-2-3-7-16(15)18(19)21;3*1-2;/h2-3,6-8,10H,4-5,9,11-12H2,1H3;;;;