cyclopenta-2,4-diene-1-carboxylic acid; cyclopenta-2,4-dien-1-yl(diphenyl)phosphane; iron

Systemtic Name: cyclopenta-2,4-diene-1-carboxylic acid; cyclopenta-2,4-dien-1-yl(diphenyl)phosphane; iron Openeye Name: cyclopenta-2,4-diene-1-carboxylic acid; cyclopenta-2,4-dien-1-yl(diphenyl)phosphane; iron CAS Name: 1-cyclopenta-2,4-dienecarboxylic acid; 1-cyclopenta-2,4-dienyl(diphenyl)phosphine; iron IUPAC Name: cyclopenta-2,4-diene-1-carboxylic acid; cyclopenta-2,4-dien-1-yl(diphenyl)phosphane; iron Traditional Name: cyclopenta-2,4-diene-1-carboxylic acid; cyclopenta-2,4-dien-1-yl(diphenyl)phosphine; iron Formula: C23H19FeO2P-2 MolecularWeight: 414.214521

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H14P.C6H5O2.Fe/c1-3-9-15(10-4-1)18(17-13-7-8-14-17)16-11-5-2-6-12-16;7-6(8)5-3-1-2-4-5;/h1-14H;1-4H,(H,7,8);/q2*-1;