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

Systemtic Name: 2-(4b,9-dihydrofluoren-9-id-2-yl)-5-propyl-thiophene; zirconium(4+); dichloride Openeye Name: 2-(4b,9-dihydrofluoren-9-id-2-yl)-5-propyl-thiophene; zirconium(4+); dichloride CAS Name: 2-(4b,9-dihydrofluoren-9-id-2-yl)-5-propylthiophene; zirconium(4+); dichloride IUPAC Name: 2-(4b,9-dihydrofluoren-9-id-2-yl)-5-propylthiophene; zirconium(4+); dichloride Traditional Name: 2-(4b,9-dihydrofluoren-9-id-2-yl)-5-propyl-thiophene; zirconium(4+); dichloride Formula: C40H34Cl2S2Zr MolecularWeight: 740.95796

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(S1)C2=CC3=C(C=C2)C4C=CC=CC4=[C-]3.CCCC1=CC=C(S1)C2=CC3=C(C=C2)C4C=CC=CC4=[C-]3.[Cl-].[Cl-].[Zr+4]

Isomeric SMILES

CCCC1=CC=C(S1)C2=CC3=C(C=C2)C4C=CC=CC4=[C-]3.CCCC1=CC=C(S1)C2=CC3=C(C=C2)C4C=CC=CC4=[C-]3.[Cl-].[Cl-].[Zr+4]

InChI

InChI=1S/2C20H17S.2ClH.Zr/c2*1-2-5-17-9-11-20(21-17)15-8-10-19-16(13-15)12-14-6-3-4-7-18(14)19;;;/h2*3-4,6-11,13,18H,2,5H2,1H3;2*1H;/q2*-1;;;+4/p-2