2-phenyl-5-(4-propan-2-yl-1H-inden-1-id-2-yl)thiophene; zirconium(4+); dichloride

Systemtic Name: 2-phenyl-5-(4-propan-2-yl-1H-inden-1-id-2-yl)thiophene; zirconium(4+); dichloride Openeye Name: 2-(4-isopropyl-1H-inden-1-id-2-yl)-5-phenyl-thiophene; zirconium(4+); dichloride CAS Name: 2-phenyl-5-(4-propan-2-yl-1H-inden-1-id-2-yl)thiophene; zirconium(4+); dichloride IUPAC Name: 2-phenyl-5-(4-propan-2-yl-1H-inden-1-id-2-yl)thiophene; zirconium(4+); dichloride Traditional Name: 2-(4-isopropyl-1H-inden-1-id-2-yl)-5-phenyl-thiophene; zirconium(4+); dichloride Formula: C44H38Cl2S2Zr MolecularWeight: 793.03252

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=CC2=C1C=C([CH-]2)C3=CC=C(S3)C4=CC=CC=C4.CC(C)C1=CC=CC2=C1C=C([CH-]2)C3=CC=C(S3)C4=CC=CC=C4.[Cl-].[Cl-].[Zr+4]

Isomeric SMILES

CC(C)C1=CC=CC2=C1C=C([CH-]2)C3=CC=C(S3)C4=CC=CC=C4.CC(C)C1=CC=CC2=C1C=C([CH-]2)C3=CC=C(S3)C4=CC=CC=C4.[Cl-].[Cl-].[Zr+4]

InChI

InChI=1S/2C22H19S.2ClH.Zr/c2*1-15(2)19-10-6-9-17-13-18(14-20(17)19)22-12-11-21(23-22)16-7-4-3-5-8-16;;;/h2*3-15H,1-2H3;2*1H;/q2*-1;;;+4/p-2