3-cycloheptyl-1H-inden-1-ide; cyclohexylidenezirconium(2+); dichloride

Systemtic Name: 3-cycloheptyl-1H-inden-1-ide; cyclohexylidenezirconium(2+); dichloride Openeye Name: 3-cycloheptyl-1H-inden-1-ide; cyclohexylidenezirconium(2+); dichloride CAS Name: 3-cycloheptyl-1H-inden-1-ide; cyclohexylidenezirconium(2+); dichloride IUPAC Name: 3-cycloheptyl-1H-inden-1-ide; cyclohexylidenezirconium(2+); dichloride Traditional Name: 3-cycloheptyl-1H-inden-1-ide; cyclohexylidenezirconium(2+); dichloride Formula: C76H96Cl2Zr2-2 MolecularWeight: 1262.92944

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CC1)C2=C[CH-]C3=CC=CC=C32.C1CCCC(CC1)C2=C[CH-]C3=CC=CC=C32.C1CCCC(CC1)C2=C[CH-]C3=CC=CC=C32.C1CCCC(CC1)C2=C[CH-]C3=CC=CC=C32.C1CCC(=[Zr+2])CC1.C1CCC(=[Zr+2])CC1.[Cl-].[Cl-]

Isomeric SMILES

C1CCCC(CC1)C2=C[CH-]C3=CC=CC=C32.C1CCCC(CC1)C2=C[CH-]C3=CC=CC=C32.C1CCCC(CC1)C2=C[CH-]C3=CC=CC=C32.C1CCCC(CC1)C2=C[CH-]C3=CC=CC=C32.C1CCC(=[Zr+2])CC1.C1CCC(=[Zr+2])CC1.[Cl-].[Cl-]

InChI

InChI=1S/4C16H19.2C6H10.2ClH.2Zr/c4*1-2-4-8-13(7-3-1)16-12-11-14-9-5-6-10-15(14)16;2*1-2-4-6-5-3-1;;;;/h4*5-6,9-13H,1-4,7-8H2;2*1-5H2;2*1H;;/q4*-1;;;;;2*+2/p-2