Specification
Synonyms
MFCD17018797;874013-62-4;Bis{[1-(2R,5R)-2,5-dimethylphospholanyl]-[2-(2R,5R)-2,5-dimethylphospholanyl-oxide]benzene}Cu(I)trifluoromethanesulfonate;97%;
IUPAC Name
copper(1+);(2R,5R)-1-[2-[(2R,5R)-2,5-dimethylphospholan-1-yl]phenyl]-2,5-dimethyl-1λ5-phospholane 1-oxide;trifluoromethanesulfonate;
Canonical SMILES
CC1CCC(P1C2=CC=CC=C2P3(=O)C(CCC3C)C)C.CC1CCC(P1C2=CC=CC=C2P3(=O)C(CCC3C)C)C.C(F)(F)(F)S(=O)(=O)[O-].[Cu+];
InChI
InChI=1S/2C18H28OP2.CHF3O3S.Cu/c2*1-13-9-10-14(2)20(13)17-7-5-6-8-18(17)21(19)15(3)11-12-16(21)4;2-1(3,4)8(5,6)7;/h2*5-8,13-16H,9-12H2,1-4H3;(H,5,6,7);/q;;;+1/p-1/t2*13-,14-,15-,16-;;/m11../s1;
InChI Key
JGVWSKIVCRMXGT-YCIFJGFLSA-M;
Covalently-Bonded Unit Count
4
Defined Atom Stereocenter Count
8
Monoisotopic Mass
856.205g/mol
Topological Polar Surface Area
99.7A^2