2-[1-diethoxyphosphoryl-2-[3-fluoranyl-4-(trifluoromethyl)phenyl]ethyl]-3-methyl-1-benzothiophene

Systemtic Name: 2-[1-diethoxyphosphoryl-2-[3-fluoranyl-4-(trifluoromethyl)phenyl]ethyl]-3-methyl-1-benzothiophene Openeye Name: 2-[1-diethoxyphosphoryl-2-[3-fluoro-4-(trifluoromethyl)phenyl]ethyl]-3-methyl-benzothiophene CAS Name: 2-[1-diethoxyphosphoryl-2-[3-fluoro-4-(trifluoromethyl)phenyl]ethyl]-3-methyl-1-benzothiophene IUPAC Name: 2-[1-diethoxyphosphoryl-2-[3-fluoro-4-(trifluoromethyl)phenyl]ethyl]-3-methyl-1-benzothiophene Traditional Name: 2-[1-diethoxyphosphoryl-2-[3-fluoro-4-(trifluoromethyl)phenyl]ethyl]-3-methyl-benzothiophene Formula: C22H23F4O3PS MolecularWeight: 474.448594

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23F4O3PS/c1-4-28-30(27,29-5-2)19(21-14(3)16-8-6-7-9-20(16)31-21)13-15-10-11-17(18(23)12-15)22(24,25)26/h6-12,19H,4-5,13H2,1-3H3