1-[3,5-bis(methylsulfanyl)pentalen-1-yl]-1H-indene; zirconium(2+); dichloride

Systemtic Name: 1-[3,5-bis(methylsulfanyl)pentalen-1-yl]-1H-indene; zirconium(2+); dichloride Openeye Name: 1-[3,5-bis(methylsulfanyl)pentalen-1-yl]-1H-indene; zirconium(2+); dichloride CAS Name: 1-[3,5-bis(methylthio)-1-pentalenyl]-1H-indene; zirconium(2+); dichloride IUPAC Name: 1-[3,5-bis(methylsulfanyl)pentalen-1-yl]-1H-indene; zirconium(2+); dichloride Traditional Name: 1-[3,5-bis(methylthio)pentalen-1-yl]-1H-indene; zirconium(2+); dichloride Formula: C38H32Cl2S4Zr MolecularWeight: 779.05068

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC2=C(C=C(C2=C1)SC)C3C=CC4=CC=CC=C34.CSC1=CC2=C(C=C(C2=C1)SC)C3C=CC4=CC=CC=C34.[Cl-].[Cl-].[Zr+2]

Isomeric SMILES

CSC1=CC2=C(C=C(C2=C1)SC)C3C=CC4=CC=CC=C34.CSC1=CC2=C(C=C(C2=C1)SC)C3C=CC4=CC=CC=C34.[Cl-].[Cl-].[Zr+2]

InChI

InChI=1S/2C19H16S2.2ClH.Zr/c2*1-20-13-9-16-17(11-19(21-2)18(16)10-13)15-8-7-12-5-3-4-6-14(12)15;;;/h2*3-11,15H,1-2H3;2*1H;/q;;;;+2/p-2