1-inden-1-id-1-yl-2-methyl-naphthalene; zirconium(2+); dichloride

Systemtic Name: 1-inden-1-id-1-yl-2-methyl-naphthalene; zirconium(2+); dichloride Openeye Name: 1-inden-1-id-1-yl-2-methyl-naphthalene; zirconium(2+); dichloride CAS Name: 1-(1-inden-1-idyl)-2-methylnaphthalene; zirconium(2+); dichloride IUPAC Name: 1-inden-1-id-1-yl-2-methylnaphthalene; zirconium(2+); dichloride Traditional Name: 1-inden-1-id-1-yl-2-methyl-naphthalene; zirconium(2+); dichloride Formula: C80H60Cl2Zr2-2 MolecularWeight: 1274.6864

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC=CC=C2C=C1)[C-]3C=CC4=CC=CC=C34.CC1=C(C2=CC=CC=C2C=C1)[C-]3C=CC4=CC=CC=C34.CC1=C(C2=CC=CC=C2C=C1)[C-]3C=CC4=CC=CC=C34.CC1=C(C2=CC=CC=C2C=C1)[C-]3C=CC4=CC=CC=C34.[Cl-].[Cl-].[Zr+2].[Zr+2]

Isomeric SMILES

CC1=C(C2=CC=CC=C2C=C1)[C-]3C=CC4=CC=CC=C34.CC1=C(C2=CC=CC=C2C=C1)[C-]3C=CC4=CC=CC=C34.CC1=C(C2=CC=CC=C2C=C1)[C-]3C=CC4=CC=CC=C34.CC1=C(C2=CC=CC=C2C=C1)[C-]3C=CC4=CC=CC=C34.[Cl-].[Cl-].[Zr+2].[Zr+2]

InChI

InChI=1S/4C20H15.2ClH.2Zr/c4*1-14-10-11-16-7-3-5-9-18(16)20(14)19-13-12-15-6-2-4-8-17(15)19;;;;/h4*2-13H,1H3;2*1H;;/q4*-1;;;2*+2/p-2