4-(4-tert-butylphenyl)-2-methyl-1H-inden-1-ide; 2-ethenyl-5-methyl-4H-cyclopenta[b]thiophene; zirconium(3+); dichloride

Systemtic Name: 4-(4-tert-butylphenyl)-2-methyl-1H-inden-1-ide; 2-ethenyl-5-methyl-4H-cyclopenta[b]thiophene; zirconium(3+); dichloride Openeye Name: 4-(4-tert-butylphenyl)-2-methyl-1H-inden-1-ide; 5-methyl-2-vinyl-4H-cyclopenta[b]thiophene; zirconium(3+); dichloride CAS Name: 4-(4-tert-butylphenyl)-2-methyl-1H-inden-1-ide; 2-ethenyl-5-methyl-4H-cyclopenta[b]thiophene; zirconium(3+); dichloride IUPAC Name: 4-(4-tert-butylphenyl)-2-methyl-1H-inden-1-ide; 2-ethenyl-5-methyl-4H-cyclopenta[b]thiophene; zirconium(3+); dichloride Traditional Name: 4-(4-tert-butylphenyl)-2-methyl-1H-inden-1-ide; 5-methyl-2-vinyl-4H-cyclopenta[b]thiophene; zirconium(3+); dichloride Formula: C30H31Cl2SZr MolecularWeight: 585.76214

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C1)C=C(S2)C=C.CC1=CC2=C([CH-]1)C=CC=C2C3=CC=C(C=C3)C(C)(C)C.[Cl-].[Cl-].[Zr+3]

Isomeric SMILES

CC1=CC2=C(C1)C=C(S2)C=C.CC1=CC2=C([CH-]1)C=CC=C2C3=CC=C(C=C3)C(C)(C)C.[Cl-].[Cl-].[Zr+3]

InChI

InChI=1S/C20H21.C10H10S.2ClH.Zr/c1-14-12-16-6-5-7-18(19(16)13-14)15-8-10-17(11-9-15)20(2,3)4;1-3-9-6-8-4-7(2)5-10(8)11-9;;;/h5-13H,1-4H3;3,5-6H,1,4H2,2H3;2*1H;/q-1;;;;+3/p-2