1-[1-(1H-inden-1-id-2-yl)ethyl]-1,2-dihydroacenaphthylene; zirconium(4+); dichloride

Systemtic Name: 1-[1-(1H-inden-1-id-2-yl)ethyl]-1,2-dihydroacenaphthylene; zirconium(4+); dichloride Openeye Name: 1-[1-(1H-inden-1-id-2-yl)ethyl]-1,2-dihydroacenaphthylene; zirconium(4+); dichloride CAS Name: 1-[1-(1H-inden-1-id-2-yl)ethyl]-1,2-dihydroacenaphthylene; zirconium(4+); dichloride IUPAC Name: 1-[1-(1H-inden-1-id-2-yl)ethyl]-1,2-dihydroacenaphthylene; zirconium(4+); dichloride Traditional Name: 1-[1-(1H-inden-1-id-2-yl)ethyl]acenaphthene; zirconium(4+); dichloride Formula: C46H38Cl2Zr MolecularWeight: 752.92392

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1CC2=CC=CC3=C2C1=CC=C3)C4=CC5=CC=CC=C5[CH-]4.CC(C1CC2=CC=CC3=C2C1=CC=C3)C4=CC5=CC=CC=C5[CH-]4.[Cl-].[Cl-].[Zr+4]

Isomeric SMILES

CC(C1CC2=CC=CC3=C2C1=CC=C3)C4=CC5=CC=CC=C5[CH-]4.CC(C1CC2=CC=CC3=C2C1=CC=C3)C4=CC5=CC=CC=C5[CH-]4.[Cl-].[Cl-].[Zr+4]

InChI

InChI=1S/2C23H19.2ClH.Zr/c2*1-15(20-12-17-6-2-3-7-18(17)13-20)22-14-19-10-4-8-16-9-5-11-21(22)23(16)19;;;/h2*2-13,15,22H,14H2,1H3;2*1H;/q2*-1;;;+4/p-2