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

Systemtic Name: 1-phenyl-3,5-bis(propan-2-ylsulfanyl)pentalene; zirconium(2+); dichloride Openeye Name: 1,5-bis(isopropylsulfanyl)-3-phenyl-pentalene; zirconium(2+); dichloride CAS Name: 1-phenyl-3,5-bis(propan-2-ylthio)pentalene; zirconium(2+); dichloride IUPAC Name: 1-phenyl-3,5-bis(propan-2-ylsulfanyl)pentalene; zirconium(2+); dichloride Traditional Name: 1,5-bis(isopropylthio)-3-phenyl-pentalene; zirconium(2+); dichloride Formula: C40H44Cl2S4Zr MolecularWeight: 815.16736

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)SC1=CC2=C(C=C(C2=C1)SC(C)C)C3=CC=CC=C3.CC(C)SC1=CC2=C(C=C(C2=C1)SC(C)C)C3=CC=CC=C3.[Cl-].[Cl-].[Zr+2]

Isomeric SMILES

CC(C)SC1=CC2=C(C=C(C2=C1)SC(C)C)C3=CC=CC=C3.CC(C)SC1=CC2=C(C=C(C2=C1)SC(C)C)C3=CC=CC=C3.[Cl-].[Cl-].[Zr+2]

InChI

InChI=1S/2C20H22S2.2ClH.Zr/c2*1-13(2)21-16-10-18-17(15-8-6-5-7-9-15)12-20(19(18)11-16)22-14(3)4;;;/h2*5-14H,1-4H3;2*1H;/q;;;;+2/p-2