2-(1,2-dimethyl-4H-inden-4-id-2-yl)-5-phenyl-thiophene; zirconium(2+); dichloride

Systemtic Name: 2-(1,2-dimethyl-4H-inden-4-id-2-yl)-5-phenyl-thiophene; zirconium(2+); dichloride Openeye Name: 2-(1,2-dimethyl-4H-inden-4-id-2-yl)-5-phenyl-thiophene; zirconium(2+); dichloride CAS Name: 2-(1,2-dimethyl-4H-inden-4-id-2-yl)-5-phenylthiophene; zirconium(2+); dichloride IUPAC Name: 2-(1,2-dimethyl-4H-inden-4-id-2-yl)-5-phenylthiophene; zirconium(2+); dichloride Traditional Name: 2-(1,2-dimethyl-4H-inden-4-id-2-yl)-5-phenyl-thiophene; zirconium(2+); dichloride Formula: C42H34Cl2S2Zr-2 MolecularWeight: 764.97936

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C=CC=[C-]C2=CC1(C)C3=CC=C(S3)C4=CC=CC=C4.CC1=C2C=CC=[C-]C2=CC1(C)C3=CC=C(S3)C4=CC=CC=C4.[Cl-].[Cl-].[Zr+2]

Isomeric SMILES

CC1=C2C=CC=[C-]C2=CC1(C)C3=CC=C(S3)C4=CC=CC=C4.CC1=C2C=CC=[C-]C2=CC1(C)C3=CC=C(S3)C4=CC=CC=C4.[Cl-].[Cl-].[Zr+2]

InChI

InChI=1S/2C21H17S.2ClH.Zr/c2*1-15-18-11-7-6-10-17(18)14-21(15,2)20-13-12-19(22-20)16-8-4-3-5-9-16;;;/h2*3-9,11-14H,1-2H3;2*1H;/q2*-1;;;+2/p-2