cyclopenta-2,4-dien-1-yl(diphenyl)phosphane; iron; methyl cyclopenta-2,4-diene-1-carboxylate

Systemtic Name: cyclopenta-2,4-dien-1-yl(diphenyl)phosphane; iron; methyl cyclopenta-2,4-diene-1-carboxylate Openeye Name: cyclopenta-2,4-dien-1-yl(diphenyl)phosphane; iron; methyl cyclopenta-2,4-diene-1-carboxylate CAS Name: 1-cyclopenta-2,4-dienecarboxylic acid methyl ester; 1-cyclopenta-2,4-dienyl(diphenyl)phosphine; iron IUPAC Name: cyclopenta-2,4-dien-1-yl(diphenyl)phosphane; iron; methyl cyclopenta-2,4-diene-1-carboxylate Traditional Name: cyclopenta-2,4-diene-1-carboxylic acid methyl ester; cyclopenta-2,4-dien-1-yl(diphenyl)phosphine; iron Formula: C24H21FeO2P-2 MolecularWeight: 428.241101

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)[C-]1C=CC=C1.C1=CC=C(C=C1)P([C-]2C=CC=C2)C3=CC=CC=C3.[Fe]

Isomeric SMILES

COC(=O)[C-]1C=CC=C1.C1=CC=C(C=C1)P([C-]2C=CC=C2)C3=CC=CC=C3.[Fe]

InChI

InChI=1S/C17H14P.C7H7O2.Fe/c1-3-9-15(10-4-1)18(17-13-7-8-14-17)16-11-5-2-6-12-16;1-9-7(8)6-4-2-3-5-6;/h1-14H;2-5H,1H3;/q2*-1;