1,2-Bis[(2R,5R)-2,5-diethylphospholano]benzene(1,5-cyclooctadiene)rhodium(I) trifluoromethanesulfonate

Catalog Number	ACM136705776-2
CAS	136705-77-6
Structure
Synonyms	(1Z,5Z)-Cycloocta-1,5-diene;(2R,5R)-1-[2-[(2R,5R)-2,5-diethylphospholan-1-yl]phenyl]-2,5-diethylphospholane;rhodium;trifluoromethanesulfonate
Molecular Weight	722.6
Molecular Formula	C31H48F3O3P2RhS
Canonical SMILES	CCC1CCC(P1C2=CC=CC=C2P3C(CCC3CC)CC)CC.C1CC=CCCC=C1.C(F)(F)(F)S(=O)(=O)[O-].[Rh]
InChI	InChI=1S/C22H36P2.C8H12.CHF3O3S.Rh/c1-5-17-13-14-18(6-2)23(17)21-11-9-10-12-22(21)24-19(7-3)15-16-20(24)8-4;1-2-4-6-8-7-5-3-1;2-1(3,4)8(5,6)7;/h9-12,17-20H,5-8,13-16H2,1-4H3;1-2,7-8H,3-6H2;(H,5,6,7);/p-1/b;2-1-,8-7-;/t17-,18-,19-,20-;/m1/s1
InChI Key	XGPXBCKGQLCHDW-KYOOHHHUSA-M
Purity	98%
Appearance	Crystal
Exact Mass	722.18064
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	0
Isomeric SMILES	CC[C@H]1P([C@@H](CC1)CC)C2=CC=CC=C2P3[C@@H](CC[C@H]3CC)CC.C1/C=C\CC/C=C\C1.C(S(=O)(=O)[O-])(F)(F)F.[Rh]
MDL Number	MFCD00269860
Monoisotopic Mass	722.18064
Rotatable Bond Count	6
Topological Polar Surface Area	65.6 Ų