2-(2-diphenylphosphanyl-5-ethyl-cyclopenta-2,4-dien-1-yl)propan-2-olate; iron(2+)

Systemtic Name: 2-(2-diphenylphosphanyl-5-ethyl-cyclopenta-2,4-dien-1-yl)propan-2-olate; iron(2+) Openeye Name: ferrous 2-(2-diphenylphosphanyl-5-ethyl-cyclopenta-2,4-dien-1-yl)propan-2-olate CAS Name: 2-(2-diphenylphosphino-5-ethyl-1-cyclopenta-2,4-dienyl)-2-propanolate; iron(2+) IUPAC Name: 2-(2-diphenylphosphanyl-5-ethylcyclopenta-2,4-dien-1-yl)propan-2-olate; iron(2+) Traditional Name: ferrous 2-(2-diphenylphosphino-5-ethyl-cyclopenta-2,4-dien-1-yl)propan-2-olate Formula: C44H48FeO2P2 MolecularWeight: 726.643242

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C1C(C)(C)[O-])P(C2=CC=CC=C2)C3=CC=CC=C3.CCC1=CC=C(C1C(C)(C)[O-])P(C2=CC=CC=C2)C3=CC=CC=C3.[Fe+2]

Isomeric SMILES

CCC1=CC=C(C1C(C)(C)[O-])P(C2=CC=CC=C2)C3=CC=CC=C3.CCC1=CC=C(C1C(C)(C)[O-])P(C2=CC=CC=C2)C3=CC=CC=C3.[Fe+2]

InChI

InChI=1S/2C22H24OP.Fe/c2*1-4-17-15-16-20(21(17)22(2,3)23)24(18-11-7-5-8-12-18)19-13-9-6-10-14-19;/h2*5-16,21H,4H2,1-3H3;/q2*-1;+2