CHLORO(.ETA.5-2,4-CYCLOPENTADIEN-1-YL)((4R,5R)-2,2-DIMETHYL-.ALPHA.4,.ALPHA.4,.ALPHA.5,.ALPHA.5-TETRAPHENYL-1,3-DIOXOLANE-4,5-DIMETHANOLATO(2-)-.KAPPA.O4,.KAPPA.O5)TITANIUM

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C31H28O4.C5H5.Cl.Ti
Molecular Weight	612.965
Optical Activity	UNSPECIFIED
Defined Stereocenters	2 / 2
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of CHLORO(.ETA.5-2,4-CYCLOPENTADIEN-1-YL)((4R,5R)-2,2-DIMETHYL-.ALPHA.4,.ALPHA.4,.ALPHA.5,.ALPHA.5-TETRAPHENYL-1,3-DIOXOLANE-4,5-DIMETHANOLATO(2-)-.KAPPA.O4,.KAPPA.O5)TITANIUM

Structure Search

SMILES

[Cl-].[Ti+4].[CH-]1C=CC=C1.CC2(C)O[C@H]([C@@H](O2)C([O-])(C3=CC=CC=C3)C4=CC=CC=C4)C([O-])(C5=CC=CC=C5)C6=CC=CC=C6

InChI

InChIKey=ZNASWHXUMKLPQE-CRMRIEQBSA-M

InChI=1S/C31H28O4.C5H5.ClH.Ti/c1-29(2)34-27(30(32,23-15-7-3-8-16-23)24-17-9-4-10-18-24)28(35-29)31(33,25-19-11-5-12-20-25)26-21-13-6-14-22-26;1-2-4-5-3-1;;/h3-22,27-28H,1-2H3;1-5H;1H;/q-2;-1;;+4/p-1/t27-,28-;;;/m1.../s1

HIDE SMILES / InChI

Approval Year

Name

Type

Language

CHLORO(.ETA.5-2,4-CYCLOPENTADIEN-1-YL)((4R,5R)-2,2-DIMETHYL-.ALPHA.4,.ALPHA.4,.ALPHA.5,.ALPHA.5-TETRAPHENYL-1,3-DIOXOLANE-4,5-DIMETHANOLATO(2-)-.KAPPA.O4,.KAPPA.O5)TITANIUM

Common Name

English

DUTHALER-HAFNER REAGENT

Preferred Name

English

DUTHALER-HAFNER REAGENT [MI]

Common Name

English

Code System Code Type Description

MERCK INDEX

m4789