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

Systemtic Name: 2-ethyl-3aH-cyclopenta[b]thiophene; 2-(1H-inden-1-id-2-yl)-1-methyl-5-propyl-pyrrole; zirconium(3+); dichloride Openeye Name: 2-ethyl-3aH-cyclopenta[b]thiophene; 2-(1H-inden-1-id-2-yl)-1-methyl-5-propyl-pyrrole; zirconium(3+); dichloride CAS Name: 2-ethyl-3aH-cyclopenta[b]thiophene; 2-(1H-inden-1-id-2-yl)-1-methyl-5-propylpyrrole; zirconium(3+); dichloride IUPAC Name: 2-ethyl-3aH-cyclopenta[b]thiophene; 2-(1H-inden-1-id-2-yl)-1-methyl-5-propylpyrrole; zirconium(3+); dichloride Traditional Name: 2-ethyl-3aH-cyclopenta[b]thiophene; 2-(1H-inden-1-id-2-yl)-1-methyl-5-propyl-pyrrole; zirconium(3+); dichloride Formula: C26H28Cl2NSZr MolecularWeight: 548.70222

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(N1C)C2=CC3=CC=CC=C3[CH-]2.CCC1=CC2C=CC=C2S1.[Cl-].[Cl-].[Zr+3]

Isomeric SMILES

CCCC1=CC=C(N1C)C2=CC3=CC=CC=C3[CH-]2.CCC1=CC2C=CC=C2S1.[Cl-].[Cl-].[Zr+3]

InChI

InChI=1S/C17H18N.C9H10S.2ClH.Zr/c1-3-6-16-9-10-17(18(16)2)15-11-13-7-4-5-8-14(13)12-15;1-2-8-6-7-4-3-5-9(7)10-8;;;/h4-5,7-12H,3,6H2,1-2H3;3-7H,2H2,1H3;2*1H;/q-1;;;;+3/p-2