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

Systemtic Name: 1,5-bis(methylsulfanyl)-3-phenyl-pentalene; zirconium(2+); dichloride Openeye Name: 1,5-bis(methylsulfanyl)-3-phenyl-pentalene; zirconium(2+); dichloride CAS Name: 1,5-bis(methylthio)-3-phenylpentalene; zirconium(2+); dichloride IUPAC Name: 1,5-bis(methylsulfanyl)-3-phenylpentalene; zirconium(2+); dichloride Traditional Name: 1,5-bis(methylthio)-3-phenyl-pentalene; zirconium(2+); dichloride Formula: C32H28Cl2S4Zr MolecularWeight: 702.95472

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C16H14S2.2ClH.Zr/c2*1-17-12-8-14-13(11-6-4-3-5-7-11)10-16(18-2)15(14)9-12;;;/h2*3-10H,1-2H3;2*1H;/q;;;;+2/p-2