Synonyms
(1Z,5Z)-cycloocta-1,5-diene;rhodium;trifluoromethanesulfonate
IUPAC Name
(1Z,5Z)-cycloocta-1,5-diene;rhodium;trifluoromethanesulfonate;
Molecular Weight
468.34
Molecular Formula
C17H24F3O3RhS
InChI
InChI=1S/2C8H12.CHF3O3S.Rh/c2*1-2-4-6-8-7-5-3-1;2-1(3,4)8(5,6)7;/h2*1-2,7-8H,3-6H2;(H,5,6,7);/p-1/b2*2-1-,8-7-;
InChI Key
VUTUHLLWFPRWMT-QMDOQEJBSA-M
Melting Point
159 °C
Purity
99%
Appearance
Red brown powder
Storage
Refrigerator (+4°C)
Color Form
crystalline
Complexity
217
Covalently-Bonded Unit Count
4
Defined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
4
Empirical Formula
[Rh(cod)2]CF3SO3
Exact Mass
468.04532
Formal Charge
-1
H-Bond Acceptor
6
Heavy Atom Count
25
Isomeric SMILES
C1/C=C\CC/C=C\C1.C1/C=C\CC/C=C\C1.C(S(=O)(=O)[O-])(F)(F)F.[Rh]
Metal
Rh
Metal Content
22
Monoisotopic Mass
468.04532
Rotatable Bond Count
0
Topological Polar Surface Area
65.6 Ų
