diphenyl-sulfanidyl-sulfanylidene-$l^{5}-phosphane; 1,3,5-trimethylcyclopenta-1,3-diene; zirconium

Systemtic Name: diphenyl-sulfanidyl-sulfanylidene-$l^{5}-phosphane; 1,3,5-trimethylcyclopenta-1,3-diene; zirconium Openeye Name: diphenyl-sulfido-thioxo-$l^{5}-phosphane; 1,3,5-trimethylcyclopenta-1,3-diene; zirconium CAS Name: diphenyl-sulfanylidene-sulfidophosphorane; 1,3,5-trimethylcyclopenta-1,3-diene; zirconium IUPAC Name: diphenyl-sulfanylidene-sulfido-$l^{5}-phosphane; 1,3,5-trimethylcyclopenta-1,3-diene; zirconium Traditional Name: diphenyl-sulfido-thioxo-phosphorane; 1,3,5-trimethylcyclopenta-1,3-diene; zirconium Formula: C44H41P3S6Zr-4 MolecularWeight: 946.331623

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Descriptors Computed from Structure

Canonical SMILES:

C[C-]1C=C(C=C1C)C.C1=CC=C(C=C1)P(=S)(C2=CC=CC=C2)[S-].C1=CC=C(C=C1)P(=S)(C2=CC=CC=C2)[S-].C1=CC=C(C=C1)P(=S)(C2=CC=CC=C2)[S-].[Zr]

Isomeric SMILES

C[C-]1C=C(C=C1C)C.C1=CC=C(C=C1)P(=S)(C2=CC=CC=C2)[S-].C1=CC=C(C=C1)P(=S)(C2=CC=CC=C2)[S-].C1=CC=C(C=C1)P(=S)(C2=CC=CC=C2)[S-].[Zr]

InChI

InChI=1S/3C12H11PS2.C8H11.Zr/c3*14-13(15,11-7-3-1-4-8-11)12-9-5-2-6-10-12;1-6-4-7(2)8(3)5-6;/h3*1-10H,(H,14,15);4-5H,1-3H3;/q;;;-1;/p-3