cyclopenta-1,3-diene; 3-methylsulfanylphenol; 4-methylsulfanylphenol; zirconium(2+)

Systemtic Name: cyclopenta-1,3-diene; 3-methylsulfanylphenol; 4-methylsulfanylphenol; zirconium(2+) Openeye Name: cyclopenta-1,3-diene; 3-methylsulfanylphenol; 4-methylsulfanylphenol; zirconium(2+) CAS Name: cyclopenta-1,3-diene; 3-(methylthio)phenol; 4-(methylthio)phenol; zirconium(2+) IUPAC Name: cyclopenta-1,3-diene; 3-methylsulfanylphenol; 4-methylsulfanylphenol; zirconium(2+) Traditional Name: cyclopenta-1,3-diene; 3-(methylthio)phenol; 4-(methylthio)phenol; zirconium(2+) Formula: C48H52O4S4Zr2 MolecularWeight: 1003.63208

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)O.CSC1=CC=C(C=C1)O.CSC1=CC=CC(=C1)O.CSC1=CC=CC(=C1)O.C1C=CC=[C-]1.C1C=CC=[C-]1.C1C=CC=[C-]1.C1C=CC=[C-]1.[Zr+2].[Zr+2]

Isomeric SMILES

CSC1=CC=C(C=C1)O.CSC1=CC=C(C=C1)O.CSC1=CC=CC(=C1)O.CSC1=CC=CC(=C1)O.C1C=CC=[C-]1.C1C=CC=[C-]1.C1C=CC=[C-]1.C1C=CC=[C-]1.[Zr+2].[Zr+2]

InChI

InChI=1S/4C7H8OS.4C5H5.2Zr/c2*1-9-7-4-2-6(8)3-5-7;2*1-9-7-4-2-3-6(8)5-7;4*1-2-4-5-3-1;;/h4*2-5,8H,1H3;4*1-3H,4H2;;/q;;;;4*-1;2*+2