(2-sulfanylidenepyridin-1-yl) 3-diphenoxyphosphoryloxy-2,2-dimethyl-3-[4-(trifluoromethyl)phenyl]propanoate

Systemtic Name: (2-sulfanylidenepyridin-1-yl) 3-diphenoxyphosphoryloxy-2,2-dimethyl-3-[4-(trifluoromethyl)phenyl]propanoate Openeye Name: (2-thioxo-1-pyridyl) 3-diphenoxyphosphoryloxy-2,2-dimethyl-3-[4-(trifluoromethyl)phenyl]propanoate CAS Name: 3-diphenoxyphosphoryloxy-2,2-dimethyl-3-[4-(trifluoromethyl)phenyl]propanoic acid (2-sulfanylidene-1-pyridinyl) ester IUPAC Name: (2-sulfanylidenepyridin-1-yl) 3-diphenoxyphosphoryloxy-2,2-dimethyl-3-[4-(trifluoromethyl)phenyl]propanoate Traditional Name: 3-diphenoxyphosphoryloxy-2,2-dimethyl-3-[4-(trifluoromethyl)phenyl]propionic acid (2-thioxo-1-pyridyl) ester Formula: C29H25F3NO6PS MolecularWeight: 603.545871

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(C1=CC=C(C=C1)C(F)(F)F)OP(=O)(OC2=CC=CC=C2)OC3=CC=CC=C3)C(=O)ON4C=CC=CC4=S

Isomeric SMILES

CC(C)(C(C1=CC=C(C=C1)C(F)(F)F)OP(=O)(OC2=CC=CC=C2)OC3=CC=CC=C3)C(=O)ON4C=CC=CC4=S

InChI

InChI=1S/C29H25F3NO6PS/c1-28(2,27(34)36-33-20-10-9-15-25(33)41)26(21-16-18-22(19-17-21)29(30,31)32)39-40(35,37-23-11-5-3-6-12-23)38-24-13-7-4-8-14-24/h3-20,26H,1-2H3