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

Systemtic Name: 2-methyl-5-(4-naphthalen-2-yl-1,2-dihydroinden-2-id-1-yl)thiophene; zirconium(4+); dichloride Openeye Name: 2-methyl-5-[4-(2-naphthyl)-1,2-dihydroinden-2-id-1-yl]thiophene; zirconium(4+); dichloride CAS Name: 2-methyl-5-[4-(2-naphthalenyl)-1,2-dihydroinden-2-id-1-yl]thiophene; zirconium(4+); dichloride IUPAC Name: 2-methyl-5-(4-naphthalen-2-yl-1,2-dihydroinden-2-id-1-yl)thiophene; zirconium(4+); dichloride Traditional Name: 2-methyl-5-[4-(2-naphthyl)-1,2-dihydroinden-2-id-1-yl]thiophene; zirconium(4+); dichloride Formula: C48H34Cl2S2Zr MolecularWeight: 837.04356

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)C2[C-]=CC3=C(C=CC=C23)C4=CC5=CC=CC=C5C=C4.CC1=CC=C(S1)C2[C-]=CC3=C(C=CC=C23)C4=CC5=CC=CC=C5C=C4.[Cl-].[Cl-].[Zr+4]

Isomeric SMILES

CC1=CC=C(S1)C2[C-]=CC3=C(C=CC=C23)C4=CC5=CC=CC=C5C=C4.CC1=CC=C(S1)C2[C-]=CC3=C(C=CC=C23)C4=CC5=CC=CC=C5C=C4.[Cl-].[Cl-].[Zr+4]

InChI

InChI=1S/2C24H17S.2ClH.Zr/c2*1-16-9-14-24(25-16)23-13-12-22-20(7-4-8-21(22)23)19-11-10-17-5-2-3-6-18(17)15-19;;;/h2*2-12,14-15,23H,1H3;2*1H;/q2*-1;;;+4/p-2