5-[3,5-bis(methylsulfanyl)pentalen-1-yl]-2H-pyran-6-ol; zirconium(2+); dichloride

Systemtic Name: 5-[3,5-bis(methylsulfanyl)pentalen-1-yl]-2H-pyran-6-ol; zirconium(2+); dichloride Openeye Name: 5-[3,5-bis(methylsulfanyl)pentalen-1-yl]-2H-pyran-6-ol; zirconium(2+); dichloride CAS Name: 5-[3,5-bis(methylthio)-1-pentalenyl]-2H-pyran-6-ol; zirconium(2+); dichloride IUPAC Name: 5-[3,5-bis(methylsulfanyl)pentalen-1-yl]-2H-pyran-6-ol; zirconium(2+); dichloride Traditional Name: 5-[3,5-bis(methylthio)pentalen-1-yl]-2H-pyran-6-ol; zirconium(2+); dichloride Formula: C30H28Cl2O4S4Zr MolecularWeight: 742.93092

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C15H14O2S2.2ClH.Zr/c2*1-18-9-6-11-12(8-14(19-2)13(11)7-9)10-4-3-5-17-15(10)16;;;/h2*3-4,6-8,16H,5H2,1-2H3;2*1H;/q;;;;+2/p-2