boron; cyclopentane; (2-dicyclohexylphosphanylcyclopentyl)-(2-methylsulfanylcyclopentyl)methanone; iron(2+)

Systemtic Name: boron; cyclopentane; (2-dicyclohexylphosphanylcyclopentyl)-(2-methylsulfanylcyclopentyl)methanone; iron(2+) Openeye Name: diferrous; boron; cyclopentane; (2-dicyclohexylphosphanylcyclopentyl)-(2-methylsulfanylcyclopentyl)methanone CAS Name: boron; cyclopentane; (2-dicyclohexylphosphinocyclopentyl)-[2-(methylthio)cyclopentyl]methanone; iron(2+) IUPAC Name: boron; cyclopentane; (2-dicyclohexylphosphanylcyclopentyl)-(2-methylsulfanylcyclopentyl)methanone; iron(2+) Traditional Name: diferrous; boron; cyclopentane; (2-dicyclohexylphosphinocyclopentyl)-[2-(methylthio)cyclopentyl]methanone Formula: C34H41BFe2OPS+4 MolecularWeight: 651.228501

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Descriptors Computed from Structure

Canonical SMILES:

[B].CS[C]1[CH][CH][CH][C]1C(=O)[C]2[CH][CH][CH][C]2P(C3CCCCC3)C4CCCCC4.[CH]1[CH][CH][CH][CH]1.[CH]1[CH][CH][CH][CH]1.[Fe+2].[Fe+2]

Isomeric SMILES

[B].CS[C]1[CH][CH][CH][C]1C(=O)[C]2[CH][CH][CH][C]2P(C3CCCCC3)C4CCCCC4.[CH]1[CH][CH][CH][CH]1.[CH]1[CH][CH][CH][CH]1.[Fe+2].[Fe+2]

InChI

InChI=1S/C24H31OPS.2C5H5.B.2Fe/c1-27-23-17-9-15-21(23)24(25)20-14-8-16-22(20)26(18-10-4-2-5-11-18)19-12-6-3-7-13-19;2*1-2-4-5-3-1;;;/h8-9,14-19H,2-7,10-13H2,1H3;2*1-5H;;;/q;;;;2*+2