Synonyms
MFCD17018832;MFCD17018833;162412-90-0;1,1'-Bis((2R,5R)-2,5-diethylphospholano)ferrocene(cyclooctadiene)rhodium(I) tetrafluoroborate;1,1'-Bis((2S,5S)-2,5-diethylphospholano)ferrocene(cyclooctadiene)rhodium(I) tetrafluoroborate;290347-88-5;
IUPAC Name
carbanide;(1Z,5Z)-cycloocta-1,5-diene;(2R,5R)-1-cyclopentyl-2,5-diethylphospholan-1-ium;iron;rhodium(3+);tetrafluoroborate;
Molecular Weight
810.458g/mol
Molecular Formula
C36H70BF4FeP2Rh+2;
Canonical SMILES
[B-](F)(F)(F)F.[CH3-].[CH3-].CCC1CCC([PH+]1C2CCCC2)CC.CCC1CCC([PH+]1C2CCCC2)CC.C1CC=CCCC=C1.[Fe].[Rh+3];
InChI
InChI=1S/2C13H25P.C8H12.2CH3.BF4.Fe.Rh/c2*1-3-11-9-10-12(4-2)14(11)13-7-5-6-8-13;1-2-4-6-8-7-5-3-1;;;2-1(3,4)5;;/h2*11-13H,3-10H2,1-2H3;1-2,7-8H,3-6H2;2*1H3;;;/q;;;3*-1;;+3/p+2/b;;2-1-,8-7-;;;;;/t2*11-,12-;;;;;;/m11....../s1;
InChI Key
JWRQRLUJPVPGAO-LYUBLRROSA-P;
Complexity
459
Covalently-Bonded Unit Count
8
Defined Atom Stereocenter Count
4
Defined Bond Stereocenter Count
2
Exact Mass
810.339g/mol
Formal Charge
2
H-Bond Acceptor
7
Heavy Atom Count
45
Monoisotopic Mass
810.339g/mol
Rotatable Bond Count
6
Topological Polar Surface Area
0A^2
