2-ethyl-5-[4-(4-ethylphenyl)-1H-inden-1-id-2-yl]thiophene; zirconium(4+); dichloride

Systemtic Name: 2-ethyl-5-[4-(4-ethylphenyl)-1H-inden-1-id-2-yl]thiophene; zirconium(4+); dichloride Openeye Name: 2-ethyl-5-[4-(4-ethylphenyl)-1H-inden-1-id-2-yl]thiophene; zirconium(4+); dichloride CAS Name: 2-ethyl-5-[4-(4-ethylphenyl)-1H-inden-1-id-2-yl]thiophene; zirconium(4+); dichloride IUPAC Name: 2-ethyl-5-[4-(4-ethylphenyl)-1H-inden-1-id-2-yl]thiophene; zirconium(4+); dichloride Traditional Name: 2-ethyl-5-[4-(4-ethylphenyl)-1H-inden-1-id-2-yl]thiophene; zirconium(4+); dichloride Formula: C46H42Cl2S2Zr MolecularWeight: 821.08568

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=CC=CC3=C2C=C([CH-]3)C4=CC=C(S4)CC.CCC1=CC=C(C=C1)C2=CC=CC3=C2C=C([CH-]3)C4=CC=C(S4)CC.[Cl-].[Cl-].[Zr+4]

Isomeric SMILES

CCC1=CC=C(C=C1)C2=CC=CC3=C2C=C([CH-]3)C4=CC=C(S4)CC.CCC1=CC=C(C=C1)C2=CC=CC3=C2C=C([CH-]3)C4=CC=C(S4)CC.[Cl-].[Cl-].[Zr+4]

InChI

InChI=1S/2C23H21S.2ClH.Zr/c2*1-3-16-8-10-17(11-9-16)21-7-5-6-18-14-19(15-22(18)21)23-13-12-20(4-2)24-23;;;/h2*5-15H,3-4H2,1-2H3;2*1H;/q2*-1;;;+4/p-2