2-ethyl-5-(1H-inden-1-id-2-yl)thiophene; 2-methyl-3aH-cyclopenta[b]thiophene; zirconium(4+); dichloride

Systemtic Name: 2-ethyl-5-(1H-inden-1-id-2-yl)thiophene; 2-methyl-3aH-cyclopenta[b]thiophene; zirconium(4+); dichloride Openeye Name: 2-ethyl-5-(1H-inden-1-id-2-yl)thiophene; 2-methyl-3aH-cyclopenta[b]thiophene; zirconium(4+); dichloride CAS Name: 2-ethyl-5-(1H-inden-1-id-2-yl)thiophene; 2-methyl-3aH-cyclopenta[b]thiophene; zirconium(4+); dichloride IUPAC Name: 2-ethyl-5-(1H-inden-1-id-2-yl)thiophene; 2-methyl-3aH-cyclopenta[b]thiophene; zirconium(4+); dichloride Traditional Name: 2-ethyl-5-(1H-inden-1-id-2-yl)thiophene; 2-methyl-3aH-cyclopenta[b]thiophene; zirconium(4+); dichloride Formula: C38H34Cl2S3Zr MolecularWeight: 749.00156

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(S1)C2=CC3=CC=CC=C3[CH-]2.CCC1=CC=C(S1)C2=CC3=CC=CC=C3[CH-]2.CC1=CC2C=CC=C2S1.[Cl-].[Cl-].[Zr+4]

Isomeric SMILES

CCC1=CC=C(S1)C2=CC3=CC=CC=C3[CH-]2.CCC1=CC=C(S1)C2=CC3=CC=CC=C3[CH-]2.CC1=CC2C=CC=C2S1.[Cl-].[Cl-].[Zr+4]

InChI

InChI=1S/2C15H13S.C8H8S.2ClH.Zr/c2*1-2-14-7-8-15(16-14)13-9-11-5-3-4-6-12(11)10-13;1-6-5-7-3-2-4-8(7)9-6;;;/h2*3-10H,2H2,1H3;2-5,7H,1H3;2*1H;/q2*-1;;;;+4/p-2