2-(1H-inden-1-id-2-yl)-5-propyl-thiophene; 2-methylcyclopenta[b]phosphole; zirconium(3+); dichloride

Systemtic Name: 2-(1H-inden-1-id-2-yl)-5-propyl-thiophene; 2-methylcyclopenta[b]phosphole; zirconium(3+); dichloride Openeye Name: 2-(1H-inden-1-id-2-yl)-5-propyl-thiophene; 2-methylcyclopenta[b]phosphole; zirconium(3+); dichloride CAS Name: 2-(1H-inden-1-id-2-yl)-5-propylthiophene; 2-methylcyclopenta[b]phosphole; zirconium(3+); dichloride IUPAC Name: 2-(1H-inden-1-id-2-yl)-5-propylthiophene; 2-methylcyclopenta[b]phosphole; zirconium(3+); dichloride Traditional Name: 2-(1H-inden-1-id-2-yl)-5-propyl-thiophene; 2-methylcyclopenta[b]phosphole; zirconium(3+); dichloride Formula: C24H22Cl2PSZr MolecularWeight: 535.600241

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(S1)C2=CC3=CC=CC=C3[CH-]2.CC1=CC2=CC=CC2=P1.[Cl-].[Cl-].[Zr+3]

Isomeric SMILES

CCCC1=CC=C(S1)C2=CC3=CC=CC=C3[CH-]2.CC1=CC2=CC=CC2=P1.[Cl-].[Cl-].[Zr+3]

InChI

InChI=1S/C16H15S.C8H7P.2ClH.Zr/c1-2-5-15-8-9-16(17-15)14-10-12-6-3-4-7-13(12)11-14;1-6-5-7-3-2-4-8(7)9-6;;;/h3-4,6-11H,2,5H2,1H3;2-5H,1H3;2*1H;/q-1;;;;+3/p-2