3-acetyloxyprop-1-enylideneiron(1+); cyclopentane; 2-diphenylphosphanylethyl(diphenyl)phosphane; tetrafluoroborate

Systemtic Name: 3-acetyloxyprop-1-enylideneiron(1+); cyclopentane; 2-diphenylphosphanylethyl(diphenyl)phosphane; tetrafluoroborate Openeye Name: 3-acetoxyprop-1-enylideneiron(1+); cyclopentane; 2-diphenylphosphanylethyl(diphenyl)phosphane; tetrafluoroborate CAS Name: 3-acetyloxyprop-1-enylideneiron(1+); cyclopentane; 2-diphenylphosphinoethyl(diphenyl)phosphine; tetrafluoroborate IUPAC Name: 3-acetyloxyprop-1-enylideneiron(1+); cyclopentane; 2-diphenylphosphanylethyl(diphenyl)phosphane; tetrafluoroborate Traditional Name: 3-acetoxyprop-1-enylideneiron(1+); cyclopentane; 2-diphenylphosphinoethyl(diphenyl)phosphine; tetrafluoroborate Formula: C36H35BF4FeO2P2 MolecularWeight: 704.259035

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Descriptors Computed from Structure

Canonical SMILES:

[B-](F)(F)(F)F.CC(=O)OCC=C=[Fe+].C1=CC=C(C=C1)P(CCP(C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4.[CH]1[CH][CH][CH][CH]1

Isomeric SMILES

[B-](F)(F)(F)F.CC(=O)OCC=C=[Fe+].C1=CC=C(C=C1)P(CCP(C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4.[CH]1[CH][CH][CH][CH]1

InChI

InChI=1S/C26H24P2.C5H6O2.C5H5.BF4.Fe/c1-5-13-23(14-6-1)27(24-15-7-2-8-16-24)21-22-28(25-17-9-3-10-18-25)26-19-11-4-12-20-26;1-3-4-7-5(2)6;1-2-4-5-3-1;2-1(3,4)5;/h1-20H,21-22H2;3H,4H2,2H3;1-5H;;/q;;;-1;+1