8-[3,5-bis(methylsulfanyl)pentalen-1-yl]quinoline; zirconium(2+); dichloride

Systemtic Name: 8-[3,5-bis(methylsulfanyl)pentalen-1-yl]quinoline; zirconium(2+); dichloride Openeye Name: 8-[3,5-bis(methylsulfanyl)pentalen-1-yl]quinoline; zirconium(2+); dichloride CAS Name: 8-[3,5-bis(methylthio)-1-pentalenyl]quinoline; zirconium(2+); dichloride IUPAC Name: 8-[3,5-bis(methylsulfanyl)pentalen-1-yl]quinoline; zirconium(2+); dichloride Traditional Name: 8-[3,5-bis(methylthio)pentalen-1-yl]quinoline; zirconium(2+); dichloride Formula: C38H30Cl2N2S4Zr MolecularWeight: 805.0482

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC2=C(C=C(C2=C1)SC)C3=CC=CC4=C3N=CC=C4.CSC1=CC2=C(C=C(C2=C1)SC)C3=CC=CC4=C3N=CC=C4.[Cl-].[Cl-].[Zr+2]

Isomeric SMILES

CSC1=CC2=C(C=C(C2=C1)SC)C3=CC=CC4=C3N=CC=C4.CSC1=CC2=C(C=C(C2=C1)SC)C3=CC=CC4=C3N=CC=C4.[Cl-].[Cl-].[Zr+2]

InChI

InChI=1S/2C19H15NS2.2ClH.Zr/c2*1-21-13-9-15-16(11-18(22-2)17(15)10-13)14-7-3-5-12-6-4-8-20-19(12)14;;;/h2*3-11H,1-2H3;2*1H;/q;;;;+2/p-2