2-methyl-4-phenyl-1,2,3,4,5,6-hexahydroazulen-1-ide; propan-2-ylidenezirconium(2+); dichloride

Systemtic Name: 2-methyl-4-phenyl-1,2,3,4,5,6-hexahydroazulen-1-ide; propan-2-ylidenezirconium(2+); dichloride Openeye Name: isopropylidenezirconium(2+); 2-methyl-4-phenyl-1,2,3,4,5,6-hexahydroazulen-1-ide; dichloride CAS Name: 2-methyl-4-phenyl-1,2,3,4,5,6-hexahydroazulen-1-ide; propan-2-ylidenezirconium(2+); dichloride IUPAC Name: 2-methyl-4-phenyl-1,2,3,4,5,6-hexahydroazulen-1-ide; propan-2-ylidenezirconium(2+); dichloride Traditional Name: isopropylidenezirconium(2+); 2-methyl-4-phenyl-1,2,3,4,5,6-hexahydroazulen-1-ide; dichloride Formula: C37H44Cl2Zr-2 MolecularWeight: 650.87526

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CC2=C([CH-]1)C=CCCC2C3=CC=CC=C3.CC1CC2=C([CH-]1)C=CCCC2C3=CC=CC=C3.CC(=[Zr+2])C.[Cl-].[Cl-]

Isomeric SMILES

CC1CC2=C([CH-]1)C=CCCC2C3=CC=CC=C3.CC1CC2=C([CH-]1)C=CCCC2C3=CC=CC=C3.CC(=[Zr+2])C.[Cl-].[Cl-]

InChI

InChI=1S/2C17H19.C3H6.2ClH.Zr/c2*1-13-11-15-9-5-6-10-16(17(15)12-13)14-7-3-2-4-8-14;1-3-2;;;/h2*2-5,7-9,11,13,16H,6,10,12H2,1H3;1-2H3;2*1H;/q2*-1;;;;+2/p-2