2-methylcyclopenta-1,3-diene; 2-methyl-4,5,6,7-tetrahydro-1H-inden-1-ide; zirconium(2+); dichloride

Systemtic Name: 2-methylcyclopenta-1,3-diene; 2-methyl-4,5,6,7-tetrahydro-1H-inden-1-ide; zirconium(2+); dichloride Openeye Name: 2-methylcyclopenta-1,3-diene; 2-methyl-4,5,6,7-tetrahydro-1H-inden-1-ide; zirconium(2+); dichloride CAS Name: 2-methylcyclopenta-1,3-diene; 2-methyl-4,5,6,7-tetrahydro-1H-inden-1-ide; zirconium(2+); dichloride IUPAC Name: 2-methylcyclopenta-1,3-diene; 2-methyl-4,5,6,7-tetrahydro-1H-inden-1-ide; zirconium(2+); dichloride Traditional Name: 2-methylcyclopenta-1,3-diene; 2-methyl-4,5,6,7-tetrahydro-1H-inden-1-ide; zirconium(2+); dichloride Formula: C32H40Cl2Zr2-2 MolecularWeight: 678.014

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C([CH-]1)CCCC2.CC1=CC2=C([CH-]1)CCCC2.CC1=[C-]CC=C1.CC1=[C-]CC=C1.[Cl-].[Cl-].[Zr+2].[Zr+2]

Isomeric SMILES

CC1=CC2=C([CH-]1)CCCC2.CC1=CC2=C([CH-]1)CCCC2.CC1=[C-]CC=C1.CC1=[C-]CC=C1.[Cl-].[Cl-].[Zr+2].[Zr+2]

InChI

InChI=1S/2C10H13.2C6H7.2ClH.2Zr/c2*1-8-6-9-4-2-3-5-10(9)7-8;2*1-6-4-2-3-5-6;;;;/h2*6-7H,2-5H2,1H3;2*2,4H,3H2,1H3;2*1H;;/q4*-1;;;2*+2/p-2