2-[4-(4-ethylphenyl)-1,2-dihydroinden-2-id-1-yl]-5-methyl-thiophene; zirconium(4+); dichloride

Systemtic Name: 2-[4-(4-ethylphenyl)-1,2-dihydroinden-2-id-1-yl]-5-methyl-thiophene; zirconium(4+); dichloride Openeye Name: 2-[4-(4-ethylphenyl)-1,2-dihydroinden-2-id-1-yl]-5-methyl-thiophene; zirconium(4+); dichloride CAS Name: 2-[4-(4-ethylphenyl)-1,2-dihydroinden-2-id-1-yl]-5-methylthiophene; zirconium(4+); dichloride IUPAC Name: 2-[4-(4-ethylphenyl)-1,2-dihydroinden-2-id-1-yl]-5-methylthiophene; zirconium(4+); dichloride Traditional Name: 2-[4-(4-ethylphenyl)-1,2-dihydroinden-2-id-1-yl]-5-methyl-thiophene; zirconium(4+); dichloride Formula: C44H38Cl2S2Zr MolecularWeight: 793.03252

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=C3C=[C-]C(C3=CC=C2)C4=CC=C(S4)C.CCC1=CC=C(C=C1)C2=C3C=[C-]C(C3=CC=C2)C4=CC=C(S4)C.[Cl-].[Cl-].[Zr+4]

Isomeric SMILES

CCC1=CC=C(C=C1)C2=C3C=[C-]C(C3=CC=C2)C4=CC=C(S4)C.CCC1=CC=C(C=C1)C2=C3C=[C-]C(C3=CC=C2)C4=CC=C(S4)C.[Cl-].[Cl-].[Zr+4]

InChI

InChI=1S/2C22H19S.2ClH.Zr/c2*1-3-16-8-10-17(11-9-16)18-5-4-6-19-20(18)12-13-21(19)22-14-7-15(2)23-22;;;/h2*4-12,14,21H,3H2,1-2H3;2*1H;/q2*-1;;;+4/p-2