2-(4b,9-dihydrofluoren-9-id-2-yl)-5-phenyl-thiophene; zirconium(4+); dichloride

Systemtic Name: 2-(4b,9-dihydrofluoren-9-id-2-yl)-5-phenyl-thiophene; zirconium(4+); dichloride Openeye Name: 2-(4b,9-dihydrofluoren-9-id-2-yl)-5-phenyl-thiophene; zirconium(4+); dichloride CAS Name: 2-(4b,9-dihydrofluoren-9-id-2-yl)-5-phenylthiophene; zirconium(4+); dichloride IUPAC Name: 2-(4b,9-dihydrofluoren-9-id-2-yl)-5-phenylthiophene; zirconium(4+); dichloride Traditional Name: 2-(4b,9-dihydrofluoren-9-id-2-yl)-5-phenyl-thiophene; zirconium(4+); dichloride Formula: C46H30Cl2S2Zr MolecularWeight: 808.9904

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC=C(S2)C3=CC4=C(C=C3)C5C=CC=CC5=[C-]4.C1=CC=C(C=C1)C2=CC=C(S2)C3=CC4=C(C=C3)C5C=CC=CC5=[C-]4.[Cl-].[Cl-].[Zr+4]

Isomeric SMILES

C1=CC=C(C=C1)C2=CC=C(S2)C3=CC4=C(C=C3)C5C=CC=CC5=[C-]4.C1=CC=C(C=C1)C2=CC=C(S2)C3=CC4=C(C=C3)C5C=CC=CC5=[C-]4.[Cl-].[Cl-].[Zr+4]

InChI

InChI=1S/2C23H15S.2ClH.Zr/c2*1-2-6-16(7-3-1)22-12-13-23(24-22)18-10-11-21-19(15-18)14-17-8-4-5-9-20(17)21;;;/h2*1-13,15,20H;2*1H;/q2*-1;;;+4/p-2