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

Systemtic Name: 2-[3,5-bis(methylsulfanyl)pentalen-1-yl]furan; zirconium(2+); dichloride Openeye Name: 2-[3,5-bis(methylsulfanyl)pentalen-1-yl]furan; zirconium(2+); dichloride CAS Name: 2-[3,5-bis(methylthio)-1-pentalenyl]furan; zirconium(2+); dichloride IUPAC Name: 2-[3,5-bis(methylsulfanyl)pentalen-1-yl]furan; zirconium(2+); dichloride Traditional Name: 2-[3,5-bis(methylthio)pentalen-1-yl]furan; zirconium(2+); dichloride Formula: C28H24Cl2O2S4Zr MolecularWeight: 682.87896

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC2=C(C=C(C2=C1)SC)C3=CC=CO3.CSC1=CC2=C(C=C(C2=C1)SC)C3=CC=CO3.[Cl-].[Cl-].[Zr+2]

Isomeric SMILES

CSC1=CC2=C(C=C(C2=C1)SC)C3=CC=CO3.CSC1=CC2=C(C=C(C2=C1)SC)C3=CC=CO3.[Cl-].[Cl-].[Zr+2]

InChI

InChI=1S/2C14H12OS2.2ClH.Zr/c2*1-16-9-6-10-11(13-4-3-5-15-13)8-14(17-2)12(10)7-9;;;/h2*3-8H,1-2H3;2*1H;/q;;;;+2/p-2