carbon monoxide; ethyl 1-[5-(2-diphenylphosphanyloxyethyl)-2-methoxy-cyclohexa-2,4-dien-1-yl]-2-oxidanylidene-cyclohexane-1-carboxylate; iron

Systemtic Name: carbon monoxide; ethyl 1-[5-(2-diphenylphosphanyloxyethyl)-2-methoxy-cyclohexa-2,4-dien-1-yl]-2-oxidanylidene-cyclohexane-1-carboxylate; iron Openeye Name: carbon monoxide; ethyl 1-[5-(2-diphenylphosphanyloxyethyl)-2-methoxy-cyclohexa-2,4-dien-1-yl]-2-oxo-cyclohexanecarboxylate; iron CAS Name: carbon monoxide; 1-[5-(2-diphenylphosphinooxyethyl)-2-methoxy-1-cyclohexa-2,4-dienyl]-2-oxo-1-cyclohexanecarboxylic acid ethyl ester; iron IUPAC Name: carbon monoxide; ethyl 1-[5-(2-diphenylphosphanyloxyethyl)-2-methoxycyclohexa-2,4-dien-1-yl]-2-oxocyclohexane-1-carboxylate; iron Traditional Name: carbon monoxide; 1-[5-(2-diphenylphosphinooxyethyl)-2-methoxy-cyclohexa-2,4-dien-1-yl]-2-keto-cyclohexanecarboxylic acid ethyl ester; iron Formula: C32H35FeO7P MolecularWeight: 618.434861

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCCCC1=O)C2CC(=CC=C2OC)CCOP(C3=CC=CC=C3)C4=CC=CC=C4.[C-]#[O+].[C-]#[O+].[Fe]

Isomeric SMILES

CCOC(=O)C1(CCCCC1=O)C2CC(=CC=C2OC)CCOP(C3=CC=CC=C3)C4=CC=CC=C4.[C-]#[O+].[C-]#[O+].[Fe]

InChI

InChI=1S/C30H35O5P.2CO.Fe/c1-3-34-29(32)30(20-11-10-16-28(30)31)26-22-23(17-18-27(26)33-2)19-21-35-36(24-12-6-4-7-13-24)25-14-8-5-9-15-25;2*1-2;/h4-9,12-15,17-18,26H,3,10-11,16,19-22H2,1-2H3;;;