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

Systemtic Name: 2-ethyl-5-(1H-inden-1-id-2-yl)-1-methyl-pyrrole; 2-methyl-3aH-cyclopenta[b]thiophene; zirconium(3+); dichloride Openeye Name: 2-ethyl-5-(1H-inden-1-id-2-yl)-1-methyl-pyrrole; 2-methyl-3aH-cyclopenta[b]thiophene; zirconium(3+); dichloride CAS Name: 2-ethyl-5-(1H-inden-1-id-2-yl)-1-methylpyrrole; 2-methyl-3aH-cyclopenta[b]thiophene; zirconium(3+); dichloride IUPAC Name: 2-ethyl-5-(1H-inden-1-id-2-yl)-1-methylpyrrole; 2-methyl-3aH-cyclopenta[b]thiophene; zirconium(3+); dichloride Traditional Name: 2-ethyl-5-(1H-inden-1-id-2-yl)-1-methyl-pyrrole; 2-methyl-3aH-cyclopenta[b]thiophene; zirconium(3+); dichloride Formula: C24H24Cl2NSZr MolecularWeight: 520.64906

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(N1C)C2=CC3=CC=CC=C3[CH-]2.CC1=CC2C=CC=C2S1.[Cl-].[Cl-].[Zr+3]

Isomeric SMILES

CCC1=CC=C(N1C)C2=CC3=CC=CC=C3[CH-]2.CC1=CC2C=CC=C2S1.[Cl-].[Cl-].[Zr+3]

InChI

InChI=1S/C16H16N.C8H8S.2ClH.Zr/c1-3-15-8-9-16(17(15)2)14-10-12-6-4-5-7-13(12)11-14;1-6-5-7-3-2-4-8(7)9-6;;;/h4-11H,3H2,1-2H3;2-5,7H,1H3;2*1H;/q-1;;;;+3/p-2