2-(1H-inden-1-id-2-yl)-5-methyl-thiophene; 2-methylcyclopenta[b]pyrrole; zirconium(4+); dichloride

Systemtic Name: 2-(1H-inden-1-id-2-yl)-5-methyl-thiophene; 2-methylcyclopenta[b]pyrrole; zirconium(4+); dichloride Openeye Name: 2-(1H-inden-1-id-2-yl)-5-methyl-thiophene; 2-methylcyclopenta[b]pyrrole; zirconium(4+); dichloride CAS Name: 2-(1H-inden-1-id-2-yl)-5-methylthiophene; 2-methylcyclopenta[b]pyrrole; zirconium(4+); dichloride IUPAC Name: 2-(1H-inden-1-id-2-yl)-5-methylthiophene; 2-methylcyclopenta[b]pyrrole; zirconium(4+); dichloride Traditional Name: 2-(1H-inden-1-id-2-yl)-5-methyl-thiophene; 2-methylcyclopenta[b]pyrrole; zirconium(4+); dichloride Formula: C36H29Cl2NS2Zr MolecularWeight: 701.88216

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)C2=CC3=CC=CC=C3[CH-]2.CC1=CC=C(S1)C2=CC3=CC=CC=C3[CH-]2.CC1=CC2=CC=CC2=N1.[Cl-].[Cl-].[Zr+4]

Isomeric SMILES

CC1=CC=C(S1)C2=CC3=CC=CC=C3[CH-]2.CC1=CC=C(S1)C2=CC3=CC=CC=C3[CH-]2.CC1=CC2=CC=CC2=N1.[Cl-].[Cl-].[Zr+4]

InChI

InChI=1S/2C14H11S.C8H7N.2ClH.Zr/c2*1-10-6-7-14(15-10)13-8-11-4-2-3-5-12(11)9-13;1-6-5-7-3-2-4-8(7)9-6;;;/h2*2-9H,1H3;2-5H,1H3;2*1H;/q2*-1;;;;+4/p-2