1,5-bis(ethylsulfanyl)-3-phenyl-pentalene; zirconium(2+); dichloride

Systemtic Name: 1,5-bis(ethylsulfanyl)-3-phenyl-pentalene; zirconium(2+); dichloride Openeye Name: 1,5-bis(ethylsulfanyl)-3-phenyl-pentalene; zirconium(2+); dichloride CAS Name: 1,5-bis(ethylthio)-3-phenylpentalene; zirconium(2+); dichloride IUPAC Name: 1,5-bis(ethylsulfanyl)-3-phenylpentalene; zirconium(2+); dichloride Traditional Name: 1,5-bis(ethylthio)-3-phenyl-pentalene; zirconium(2+); dichloride Formula: C36H36Cl2S4Zr MolecularWeight: 759.06104

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=CC2=C(C=C(C2=C1)SCC)C3=CC=CC=C3.CCSC1=CC2=C(C=C(C2=C1)SCC)C3=CC=CC=C3.[Cl-].[Cl-].[Zr+2]

Isomeric SMILES

CCSC1=CC2=C(C=C(C2=C1)SCC)C3=CC=CC=C3.CCSC1=CC2=C(C=C(C2=C1)SCC)C3=CC=CC=C3.[Cl-].[Cl-].[Zr+2]

InChI

InChI=1S/2C18H18S2.2ClH.Zr/c2*1-3-19-14-10-16-15(13-8-6-5-7-9-13)12-18(20-4-2)17(16)11-14;;;/h2*5-12H,3-4H2,1-2H3;2*1H;/q;;;;+2/p-2