Synonyms
Dichlorozirconium(2+);1-[(1S,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl]indene
IUPAC Name
dichlorozirconium(2+);1-[(1S,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl]indene;
Molecular Formula
C38H50Cl2Zr
Canonical SMILES
CC1CCC(C(C1)[C]2[CH][CH][C]3[C]2C=CC=C3)C(C)C.CC1CCC(C(C1)[C]2[CH][CH][C]3[C]2C=CC=C3)C(C)C.Cl[Zr+2]Cl
InChI
InChI=1S/2C19H25.2ClH.Zr/c2*1-13(2)16-10-8-14(3)12-19(16)18-11-9-15-6-4-5-7-17(15)18;/h2*4-7,9,11,13-14,16,19H,8,10,12H2,1-3H3;2*1H;/q;+4/p-2/t2*14-,16-,19-;/m11/s1
InChI Key
LXHHYYSQWPZHTO-GLSWNTFDSA-L
Covalently-Bonded Unit Count
3
Defined Atom Stereocenter Count
6
Isomeric SMILES
C[C@@H]1CC[C@@H]([C@@H](C1)[C]2[CH][CH][C]3[C]2C=CC=C3)C(C)C.C[C@@H]1CC[C@@H]([C@@H](C1)[C]2[CH][CH][C]3[C]2C=CC=C3)C(C)C.Cl[Zr+2]Cl
Monoisotopic Mass
666.233656
Topological Polar Surface Area
0 Ų