2-(4-tert-butyl-1,2-dihydroinden-2-id-1-yl)-5-methyl-thiophene; zirconium(4+); dichloride

Systemtic Name: 2-(4-tert-butyl-1,2-dihydroinden-2-id-1-yl)-5-methyl-thiophene; zirconium(4+); dichloride Openeye Name: 2-(4-tert-butyl-1,2-dihydroinden-2-id-1-yl)-5-methyl-thiophene; zirconium(4+); dichloride CAS Name: 2-(4-tert-butyl-1,2-dihydroinden-2-id-1-yl)-5-methylthiophene; zirconium(4+); dichloride IUPAC Name: 2-(4-tert-butyl-1,2-dihydroinden-2-id-1-yl)-5-methylthiophene; zirconium(4+); dichloride Traditional Name: 2-(4-tert-butyl-1,2-dihydroinden-2-id-1-yl)-5-methyl-thiophene; zirconium(4+); dichloride Formula: C36H38Cl2S2Zr MolecularWeight: 696.94692

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)C2[C-]=CC3=C2C=CC=C3C(C)(C)C.CC1=CC=C(S1)C2[C-]=CC3=C2C=CC=C3C(C)(C)C.[Cl-].[Cl-].[Zr+4]

Isomeric SMILES

CC1=CC=C(S1)C2[C-]=CC3=C2C=CC=C3C(C)(C)C.CC1=CC=C(S1)C2[C-]=CC3=C2C=CC=C3C(C)(C)C.[Cl-].[Cl-].[Zr+4]

InChI

InChI=1S/2C18H19S.2ClH.Zr/c2*1-12-8-11-17(19-12)15-10-9-14-13(15)6-5-7-16(14)18(2,3)4;;;/h2*5-9,11,15H,1-4H3;2*1H;/q2*-1;;;+4/p-2