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

Systemtic Name: 2-methylcyclopenta-1,3-diene; 1-phenylethylidenezirconium(2+); 4,5,6,7-tetrahydro-1H-inden-1-ide; dichloride Openeye Name: 2-methylcyclopenta-1,3-diene; 1-phenylethylidenezirconium(2+); 4,5,6,7-tetrahydro-1H-inden-1-ide; dichloride CAS Name: 2-methylcyclopenta-1,3-diene; 1-phenylethylidenezirconium(2+); 4,5,6,7-tetrahydro-1H-inden-1-ide; dichloride IUPAC Name: 2-methylcyclopenta-1,3-diene; 1-phenylethylidenezirconium(2+); 4,5,6,7-tetrahydro-1H-inden-1-ide; dichloride Traditional Name: 2-methylcyclopenta-1,3-diene; 1-phenylethylidenezirconium(2+); 4,5,6,7-tetrahydro-1H-inden-1-ide; dichloride Formula: C46H52Cl2Zr2-2 MolecularWeight: 858.25908

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC[C-]=C1.CC1=CC[C-]=C1.CC(=[Zr+2])C1=CC=CC=C1.CC(=[Zr+2])C1=CC=CC=C1.C1CCC2=C(C1)[CH-]C=C2.C1CCC2=C(C1)[CH-]C=C2.[Cl-].[Cl-]

Isomeric SMILES

CC1=CC[C-]=C1.CC1=CC[C-]=C1.CC(=[Zr+2])C1=CC=CC=C1.CC(=[Zr+2])C1=CC=CC=C1.C1CCC2=C(C1)[CH-]C=C2.C1CCC2=C(C1)[CH-]C=C2.[Cl-].[Cl-]

InChI

InChI=1S/2C9H11.2C8H8.2C6H7.2ClH.2Zr/c2*1-2-5-9-7-3-6-8(9)4-1;2*1-2-8-6-4-3-5-7-8;2*1-6-4-2-3-5-6;;;;/h2*3,6-7H,1-2,4-5H2;2*3-7H,1H3;2*4-5H,2H2,1H3;2*1H;;/q2*-1;;;2*-1;;;2*+2/p-2