4-(sulfanylmethylidene)cyclohexa-2,5-dien-1-one; 1,2,3,5-tetramethylcyclopenta-1,3-diene; zirconium(2+)

Systemtic Name: 4-(sulfanylmethylidene)cyclohexa-2,5-dien-1-one; 1,2,3,5-tetramethylcyclopenta-1,3-diene; zirconium(2+) Openeye Name: 4-(sulfanylmethylene)cyclohexa-2,5-dien-1-one; 1,2,3,5-tetramethylcyclopenta-1,3-diene; zirconium(2+) CAS Name: 4-(mercaptomethylidene)-1-cyclohexa-2,5-dienone; 1,2,3,5-tetramethylcyclopenta-1,3-diene; zirconium(2+) IUPAC Name: 4-(sulfanylmethylidene)cyclohexa-2,5-dien-1-one; 1,2,3,5-tetramethylcyclopenta-1,3-diene; zirconium(2+) Traditional Name: 4-(mercaptomethylene)cyclohexa-2,5-dien-1-one; 1,2,3,5-tetramethylcyclopenta-1,3-diene; zirconium(2+) Formula: C32H38O2S2Zr MolecularWeight: 609.99692

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Descriptors Computed from Structure

Canonical SMILES:

C[C-]1C=C(C(=C1C)C)C.C[C-]1C=C(C(=C1C)C)C.C1=CC(=O)C=CC1=CS.C1=CC(=O)C=CC1=CS.[Zr+2]

Isomeric SMILES

C[C-]1C=C(C(=C1C)C)C.C[C-]1C=C(C(=C1C)C)C.C1=CC(=O)C=CC1=CS.C1=CC(=O)C=CC1=CS.[Zr+2]

InChI

InChI=1S/2C9H13.2C7H6OS.Zr/c2*1-6-5-7(2)9(4)8(6)3;2*8-7-3-1-6(5-9)2-4-7;/h2*5H,1-4H3;2*1-5,9H;/q2*-1;;;+2