2-[1-diethoxyphosphoryl-2-[3-(trifluoromethyloxy)phenyl]ethyl]-3-methyl-1-benzothiophene

Systemtic Name: 2-[1-diethoxyphosphoryl-2-[3-(trifluoromethyloxy)phenyl]ethyl]-3-methyl-1-benzothiophene Openeye Name: 2-[1-diethoxyphosphoryl-2-[3-(trifluoromethoxy)phenyl]ethyl]-3-methyl-benzothiophene CAS Name: 2-[1-diethoxyphosphoryl-2-[3-(trifluoromethoxy)phenyl]ethyl]-3-methyl-1-benzothiophene IUPAC Name: 2-[1-diethoxyphosphoryl-2-[3-(trifluoromethoxy)phenyl]ethyl]-3-methyl-1-benzothiophene Traditional Name: 2-[1-diethoxyphosphoryl-2-[3-(trifluoromethoxy)phenyl]ethyl]-3-methyl-benzothiophene Formula: C22H24F3O4PS MolecularWeight: 472.457531

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(C(CC1=CC(=CC=C1)OC(F)(F)F)C2=C(C3=CC=CC=C3S2)C)OCC

Isomeric SMILES

CCOP(=O)(C(CC1=CC(=CC=C1)OC(F)(F)F)C2=C(C3=CC=CC=C3S2)C)OCC

InChI

InChI=1S/C22H24F3O4PS/c1-4-27-30(26,28-5-2)19(21-15(3)18-11-6-7-12-20(18)31-21)14-16-9-8-10-17(13-16)29-22(23,24)25/h6-13,19H,4-5,14H2,1-3H3