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

Systemtic Name: 2-ethyl-3aH-cyclopenta[b]thiophene; 2-(1H-inden-1-id-2-yl)-5-methyl-furan; zirconium(3+); dichloride Openeye Name: 2-ethyl-3aH-cyclopenta[b]thiophene; 2-(1H-inden-1-id-2-yl)-5-methyl-furan; zirconium(3+); dichloride CAS Name: 2-ethyl-3aH-cyclopenta[b]thiophene; 2-(1H-inden-1-id-2-yl)-5-methylfuran; zirconium(3+); dichloride IUPAC Name: 2-ethyl-3aH-cyclopenta[b]thiophene; 2-(1H-inden-1-id-2-yl)-5-methylfuran; zirconium(3+); dichloride Traditional Name: 2-ethyl-3aH-cyclopenta[b]thiophene; 2-(1H-inden-1-id-2-yl)-5-methyl-furan; zirconium(3+); dichloride Formula: C23H21Cl2OSZr MolecularWeight: 507.60724

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2C=CC=C2S1.CC1=CC=C(O1)C2=CC3=CC=CC=C3[CH-]2.[Cl-].[Cl-].[Zr+3]

Isomeric SMILES

CCC1=CC2C=CC=C2S1.CC1=CC=C(O1)C2=CC3=CC=CC=C3[CH-]2.[Cl-].[Cl-].[Zr+3]

InChI

InChI=1S/C14H11O.C9H10S.2ClH.Zr/c1-10-6-7-14(15-10)13-8-11-4-2-3-5-12(11)9-13;1-2-8-6-7-4-3-5-9(7)10-8;;;/h2-9H,1H3;3-7H,2H2,1H3;2*1H;/q-1;;;;+3/p-2