carbon monoxide; iron; methyl (2E,4Z)-7-nitrohepta-2,4-dienoate; triphenylphosphane

Systemtic Name: carbon monoxide; iron; methyl (2E,4Z)-7-nitrohepta-2,4-dienoate; triphenylphosphane Openeye Name: carbon monoxide; iron; methyl (2E,4Z)-7-nitrohepta-2,4-dienoate; triphenylphosphane CAS Name: carbon monoxide; iron; (2E,4Z)-7-nitrohepta-2,4-dienoic acid methyl ester; triphenylphosphine IUPAC Name: carbon monoxide; iron; methyl (2E,4Z)-7-nitrohepta-2,4-dienoate; triphenylphosphane Traditional Name: carbon monoxide; iron; (2E,4Z)-7-nitrohepta-2,4-dienoic acid methyl ester; triphenylphosphine Formula: C28H26FeNO6P MolecularWeight: 559.327901

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C=CC=CCC[N+](=O)[O-].[C-]#[O+].[C-]#[O+].C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3.[Fe]

Isomeric SMILES

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

InChI

InChI=1S/C18H15P.C8H11NO4.2CO.Fe/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-13-8(10)6-4-2-3-5-7-9(11)12;2*1-2;/h1-15H;2-4,6H,5,7H2,1H3;;;/b;3-2-,6-4+;;;