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

Systemtic Name: 2-(4b,9-dihydrofluoren-9-id-2-yl)-5-methyl-thiophene; zirconium(4+); dichloride Openeye Name: 2-(4b,9-dihydrofluoren-9-id-2-yl)-5-methyl-thiophene; zirconium(4+); dichloride CAS Name: 2-(4b,9-dihydrofluoren-9-id-2-yl)-5-methylthiophene; zirconium(4+); dichloride IUPAC Name: 2-(4b,9-dihydrofluoren-9-id-2-yl)-5-methylthiophene; zirconium(4+); dichloride Traditional Name: 2-(4b,9-dihydrofluoren-9-id-2-yl)-5-methyl-thiophene; zirconium(4+); dichloride Formula: C36H26Cl2S2Zr MolecularWeight: 684.85164

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)C2=CC3=C(C=C2)C4C=CC=CC4=[C-]3.CC1=CC=C(S1)C2=CC3=C(C=C2)C4C=CC=CC4=[C-]3.[Cl-].[Cl-].[Zr+4]

Isomeric SMILES

CC1=CC=C(S1)C2=CC3=C(C=C2)C4C=CC=CC4=[C-]3.CC1=CC=C(S1)C2=CC3=C(C=C2)C4C=CC=CC4=[C-]3.[Cl-].[Cl-].[Zr+4]

InChI

InChI=1S/2C18H13S.2ClH.Zr/c2*1-12-6-9-18(19-12)14-7-8-17-15(11-14)10-13-4-2-3-5-16(13)17;;;/h2*2-9,11,16H,1H3;2*1H;/q2*-1;;;+4/p-2