carbon monoxide; iron; methyl (2E,4E)-6-acetyloxyhexa-2,4-dienoate; triphenylphosphane

Systemtic Name: carbon monoxide; iron; methyl (2E,4E)-6-acetyloxyhexa-2,4-dienoate; triphenylphosphane Openeye Name: carbon monoxide; iron; methyl (2E,4E)-6-acetoxyhexa-2,4-dienoate; triphenylphosphane CAS Name: (2E,4E)-6-acetyloxyhexa-2,4-dienoic acid methyl ester; carbon monoxide; iron; triphenylphosphine IUPAC Name: carbon monoxide; iron; methyl (2E,4E)-6-acetyloxyhexa-2,4-dienoate; triphenylphosphane Traditional Name: (2E,4E)-6-acetoxyhexa-2,4-dienoic acid methyl ester; carbon monoxide; iron; triphenylphosphine Formula: C29H27FeO6P MolecularWeight: 558.339841

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC=CC=CC(=O)OC.[C-]#[O+].[C-]#[O+].C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3.[Fe]

Isomeric SMILES

CC(=O)OC/C=C/C=C/C(=O)OC.[C-]#[O+].[C-]#[O+].C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3.[Fe]

InChI

InChI=1S/C18H15P.C9H12O4.2CO.Fe/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-8(10)13-7-5-3-4-6-9(11)12-2;2*1-2;/h1-15H;3-6H,7H2,1-2H3;;;/b;5-3+,6-4+;;;