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

Catalog Number	ACM187682639-1
CAS	187682-63-9
Structure
Synonyms	(1Z,5Z)-Cycloocta-1,5-diene;(2R,5R)-1-[2-[(2R,5R)-2,5-dimethylphospholan-1-yl]phenyl]-2,5-dimethylphospholane;rhodium;trifluoromethanesulfonate
Molecular Weight	666.5
Molecular Formula	C27H40F3O3P2RhS
Canonical SMILES	CC1CCC(P1C2=CC=CC=C2P3C(CCC3C)C)C.C1CC=CCCC=C1.C(F)(F)(F)S(=O)(=O)[O-].[Rh]
InChI	InChI=1S/C18H28P2.C8H12.CHF3O3S.Rh/c1-13-9-10-14(2)19(13)17-7-5-6-8-18(17)20-15(3)11-12-16(20)4;1-2-4-6-8-7-5-3-1;2-1(3,4)8(5,6)7;/h5-8,13-16H,9-12H2,1-4H3;1-2,7-8H,3-6H2;(H,5,6,7);/p-1/b;2-1-,8-7-;/t13-,14-,15-,16-;/m1/s1
InChI Key	HFNBCEIZBZROGX-MYDVBLLJSA-M
Purity	97%+
Appearance	Crystal
Exact Mass	666.11804
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	0
Isomeric SMILES	C[C@H]1P([C@@H](CC1)C)C2=CC=CC=C2P3[C@@H](CC[C@H]3C)C.C1/C=C\CC/C=C\C1.C(S(=O)(=O)[O-])(F)(F)F.[Rh]
Monoisotopic Mass	666.11804
Rotatable Bond Count	2
Topological Polar Surface Area	65.6 Ų