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

Systemtic Name: 2-ethyl-3aH-cyclopenta[b]thiophene; 2-ethyl-5-(1H-inden-1-id-2-yl)-1-methyl-pyrrole; zirconium(3+); dichloride Openeye Name: 2-ethyl-3aH-cyclopenta[b]thiophene; 2-ethyl-5-(1H-inden-1-id-2-yl)-1-methyl-pyrrole; zirconium(3+); dichloride CAS Name: 2-ethyl-3aH-cyclopenta[b]thiophene; 2-ethyl-5-(1H-inden-1-id-2-yl)-1-methylpyrrole; zirconium(3+); dichloride IUPAC Name: 2-ethyl-3aH-cyclopenta[b]thiophene; 2-ethyl-5-(1H-inden-1-id-2-yl)-1-methylpyrrole; zirconium(3+); dichloride Traditional Name: 2-ethyl-3aH-cyclopenta[b]thiophene; 2-ethyl-5-(1H-inden-1-id-2-yl)-1-methyl-pyrrole; zirconium(3+); dichloride Formula: C25H26Cl2NSZr MolecularWeight: 534.67564

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(N1C)C2=CC3=CC=CC=C3[CH-]2.CCC1=CC2C=CC=C2S1.[Cl-].[Cl-].[Zr+3]

Isomeric SMILES

CCC1=CC=C(N1C)C2=CC3=CC=CC=C3[CH-]2.CCC1=CC2C=CC=C2S1.[Cl-].[Cl-].[Zr+3]

InChI

InChI=1S/C16H16N.C9H10S.2ClH.Zr/c1-3-15-8-9-16(17(15)2)14-10-12-6-4-5-7-13(12)11-14;1-2-8-6-7-4-3-5-9(7)10-8;;;/h4-11H,3H2,1-2H3;3-7H,2H2,1H3;2*1H;/q-1;;;;+3/p-2