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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(N1C)C2=CC3=CC=CC=C3[CH-]2.CC1=CC2C=CC=C2S1.[Cl-].[Cl-].[Zr+3]

Isomeric SMILES

CCCC1=CC=C(N1C)C2=CC3=CC=CC=C3[CH-]2.CC1=CC2C=CC=C2S1.[Cl-].[Cl-].[Zr+3]

InChI

InChI=1S/C17H18N.C8H8S.2ClH.Zr/c1-3-6-16-9-10-17(18(16)2)15-11-13-7-4-5-8-14(13)12-15;1-6-5-7-3-2-4-8(7)9-6;;;/h4-5,7-12H,3,6H2,1-2H3;2-5,7H,1H3;2*1H;/q-1;;;;+3/p-2