1-[2,6-bis(methylsulfanyl)pentalen-1-yl]naphthalene; zirconium(2+); dichloride

Systemtic Name: 1-[2,6-bis(methylsulfanyl)pentalen-1-yl]naphthalene; zirconium(2+); dichloride Openeye Name: 1-[2,6-bis(methylsulfanyl)pentalen-1-yl]naphthalene; zirconium(2+); dichloride CAS Name: 1-[2,6-bis(methylthio)-1-pentalenyl]naphthalene; zirconium(2+); dichloride IUPAC Name: 1-[2,6-bis(methylsulfanyl)pentalen-1-yl]naphthalene; zirconium(2+); dichloride Traditional Name: 1-[2,6-bis(methylthio)pentalen-1-yl]naphthalene; zirconium(2+); dichloride Formula: C40H32Cl2S4Zr MolecularWeight: 803.07208

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C2C1=C(C(=C2)SC)C3=CC=CC4=CC=CC=C43.CSC1=CC=C2C1=C(C(=C2)SC)C3=CC=CC4=CC=CC=C43.[Cl-].[Cl-].[Zr+2]

Isomeric SMILES

CSC1=CC=C2C1=C(C(=C2)SC)C3=CC=CC4=CC=CC=C43.CSC1=CC=C2C1=C(C(=C2)SC)C3=CC=CC4=CC=CC=C43.[Cl-].[Cl-].[Zr+2]

InChI

InChI=1S/2C20H16S2.2ClH.Zr/c2*1-21-17-11-10-14-12-18(22-2)20(19(14)17)16-9-5-7-13-6-3-4-8-15(13)16;;;/h2*3-12H,1-2H3;2*1H;/q;;;;+2/p-2