1-phenyl-2-[(1-phenyl-1H-inden-2-yl)sulfanyl]-1H-indene; zirconium(2+); dichloride

Systemtic Name: 1-phenyl-2-[(1-phenyl-1H-inden-2-yl)sulfanyl]-1H-indene; zirconium(2+); dichloride Openeye Name: 1-phenyl-2-[(1-phenyl-1H-inden-2-yl)sulfanyl]-1H-indene; zirconium(2+); dichloride CAS Name: 1-phenyl-2-[(1-phenyl-1H-inden-2-yl)thio]-1H-indene; zirconium(2+); dichloride IUPAC Name: 1-phenyl-2-[(1-phenyl-1H-inden-2-yl)sulfanyl]-1H-indene; zirconium(2+); dichloride Traditional Name: 1-phenyl-2-[(1-phenyl-1H-inden-2-yl)thio]-1H-indene; zirconium(2+); dichloride Formula: C60H44Cl2S2Zr MolecularWeight: 991.25136

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2C3=CC=CC=C3C=C2SC4=CC5=CC=CC=C5C4C6=CC=CC=C6.C1=CC=C(C=C1)C2C3=CC=CC=C3C=C2SC4=CC5=CC=CC=C5C4C6=CC=CC=C6.[Cl-].[Cl-].[Zr+2]

Isomeric SMILES

C1=CC=C(C=C1)C2C3=CC=CC=C3C=C2SC4=CC5=CC=CC=C5C4C6=CC=CC=C6.C1=CC=C(C=C1)C2C3=CC=CC=C3C=C2SC4=CC5=CC=CC=C5C4C6=CC=CC=C6.[Cl-].[Cl-].[Zr+2]

InChI

InChI=1S/2C30H22S.2ClH.Zr/c2*1-3-11-21(12-4-1)29-25-17-9-7-15-23(25)19-27(29)31-28-20-24-16-8-10-18-26(24)30(28)22-13-5-2-6-14-22;;;/h2*1-20,29-30H;2*1H;/q;;;;+2/p-2