propan-2-ylidenezirconium(2+); 2,4,4-trimethyl-2,3,5,6-tetrahydro-1H-azulen-1-ide; dichloride

Systemtic Name: propan-2-ylidenezirconium(2+); 2,4,4-trimethyl-2,3,5,6-tetrahydro-1H-azulen-1-ide; dichloride Openeye Name: isopropylidenezirconium(2+); 2,4,4-trimethyl-2,3,5,6-tetrahydro-1H-azulen-1-ide; dichloride CAS Name: propan-2-ylidenezirconium(2+); 2,4,4-trimethyl-2,3,5,6-tetrahydro-1H-azulen-1-ide; dichloride IUPAC Name: propan-2-ylidenezirconium(2+); 2,4,4-trimethyl-2,3,5,6-tetrahydro-1H-azulen-1-ide; dichloride Traditional Name: isopropylidenezirconium(2+); 2,4,4-trimethyl-2,3,5,6-tetrahydro-1H-azulen-1-ide; dichloride Formula: C29H44Cl2Zr-2 MolecularWeight: 554.78966

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC2=C([CH-]1)C=CCCC2(C)C.CC1CC2=C([CH-]1)C=CCCC2(C)C.CC(=[Zr+2])C.[Cl-].[Cl-]

Isomeric SMILES

CC1CC2=C([CH-]1)C=CCCC2(C)C.CC1CC2=C([CH-]1)C=CCCC2(C)C.CC(=[Zr+2])C.[Cl-].[Cl-]

InChI

InChI=1S/2C13H19.C3H6.2ClH.Zr/c2*1-10-8-11-6-4-5-7-13(2,3)12(11)9-10;1-3-2;;;/h2*4,6,8,10H,5,7,9H2,1-3H3;1-2H3;2*1H;/q2*-1;;;;+2/p-2