2-methyl-5-(4-propan-2-yl-1,2-dihydroinden-2-id-1-yl)thiophene; zirconium(4+); dichloride

Systemtic Name: 2-methyl-5-(4-propan-2-yl-1,2-dihydroinden-2-id-1-yl)thiophene; zirconium(4+); dichloride Openeye Name: 2-(4-isopropyl-1,2-dihydroinden-2-id-1-yl)-5-methyl-thiophene; zirconium(4+); dichloride CAS Name: 2-methyl-5-(4-propan-2-yl-1,2-dihydroinden-2-id-1-yl)thiophene; zirconium(4+); dichloride IUPAC Name: 2-methyl-5-(4-propan-2-yl-1,2-dihydroinden-2-id-1-yl)thiophene; zirconium(4+); dichloride Traditional Name: 2-(4-isopropyl-1,2-dihydroinden-2-id-1-yl)-5-methyl-thiophene; zirconium(4+); dichloride Formula: C34H34Cl2S2Zr MolecularWeight: 668.89376

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)C2[C-]=CC3=C2C=CC=C3C(C)C.CC1=CC=C(S1)C2[C-]=CC3=C2C=CC=C3C(C)C.[Cl-].[Cl-].[Zr+4]

Isomeric SMILES

CC1=CC=C(S1)C2[C-]=CC3=C2C=CC=C3C(C)C.CC1=CC=C(S1)C2[C-]=CC3=C2C=CC=C3C(C)C.[Cl-].[Cl-].[Zr+4]

InChI

InChI=1S/2C17H17S.2ClH.Zr/c2*1-11(2)13-5-4-6-14-15(13)8-9-16(14)17-10-7-12(3)18-17;;;/h2*4-8,10-11,16H,1-3H3;2*1H;/q2*-1;;;+4/p-2