1-(1H-inden-1-id-2-yl)-4-methyl-1H-indene; zirconium(2+); dichloride

Systemtic Name: 1-(1H-inden-1-id-2-yl)-4-methyl-1H-indene; zirconium(2+); dichloride Openeye Name: 1-(1H-inden-1-id-2-yl)-4-methyl-1H-indene; zirconium(2+); dichloride CAS Name: 1-(1H-inden-1-id-2-yl)-4-methyl-1H-indene; zirconium(2+); dichloride IUPAC Name: 1-(1H-inden-1-id-2-yl)-4-methyl-1H-indene; zirconium(2+); dichloride Traditional Name: 1-(1H-inden-1-id-2-yl)-4-methyl-1H-indene; zirconium(2+); dichloride Formula: C76H60Cl2Zr2-2 MolecularWeight: 1226.6436

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1C=CC2C3=CC4=CC=CC=C4[CH-]3.CC1=CC=CC2=C1C=CC2C3=CC4=CC=CC=C4[CH-]3.CC1=CC=CC2=C1C=CC2C3=CC4=CC=CC=C4[CH-]3.CC1=CC=CC2=C1C=CC2C3=CC4=CC=CC=C4[CH-]3.[Cl-].[Cl-].[Zr+2].[Zr+2]

Isomeric SMILES

CC1=CC=CC2=C1C=CC2C3=CC4=CC=CC=C4[CH-]3.CC1=CC=CC2=C1C=CC2C3=CC4=CC=CC=C4[CH-]3.CC1=CC=CC2=C1C=CC2C3=CC4=CC=CC=C4[CH-]3.CC1=CC=CC2=C1C=CC2C3=CC4=CC=CC=C4[CH-]3.[Cl-].[Cl-].[Zr+2].[Zr+2]

InChI

InChI=1S/4C19H15.2ClH.2Zr/c4*1-13-5-4-8-19-17(13)9-10-18(19)16-11-14-6-2-3-7-15(14)12-16;;;;/h4*2-12,18H,1H3;2*1H;;/q4*-1;;;2*+2/p-2