2-ethyl-3aH-cyclopenta[b]thiophene; 2-(1H-inden-1-id-2-yl)-1-methyl-5-phenyl-pyrrole; zirconium(3+); dichloride

Systemtic Name: 2-ethyl-3aH-cyclopenta[b]thiophene; 2-(1H-inden-1-id-2-yl)-1-methyl-5-phenyl-pyrrole; zirconium(3+); dichloride Openeye Name: 2-ethyl-3aH-cyclopenta[b]thiophene; 2-(1H-inden-1-id-2-yl)-1-methyl-5-phenyl-pyrrole; zirconium(3+); dichloride CAS Name: 2-ethyl-3aH-cyclopenta[b]thiophene; 2-(1H-inden-1-id-2-yl)-1-methyl-5-phenylpyrrole; zirconium(3+); dichloride IUPAC Name: 2-ethyl-3aH-cyclopenta[b]thiophene; 2-(1H-inden-1-id-2-yl)-1-methyl-5-phenylpyrrole; zirconium(3+); dichloride Traditional Name: 2-ethyl-3aH-cyclopenta[b]thiophene; 2-(1H-inden-1-id-2-yl)-1-methyl-5-phenyl-pyrrole; zirconium(3+); dichloride Formula: C29H26Cl2NSZr MolecularWeight: 582.71844

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2C=CC=C2S1.CN1C(=CC=C1C2=CC=CC=C2)C3=CC4=CC=CC=C4[CH-]3.[Cl-].[Cl-].[Zr+3]

Isomeric SMILES

CCC1=CC2C=CC=C2S1.CN1C(=CC=C1C2=CC=CC=C2)C3=CC4=CC=CC=C4[CH-]3.[Cl-].[Cl-].[Zr+3]

InChI

InChI=1S/C20H16N.C9H10S.2ClH.Zr/c1-21-19(15-7-3-2-4-8-15)11-12-20(21)18-13-16-9-5-6-10-17(16)14-18;1-2-8-6-7-4-3-5-9(7)10-8;;;/h2-14H,1H3;3-7H,2H2,1H3;2*1H;/q-1;;;;+3/p-2