2-[2-[3,5-bis(trifluoromethyl)phenyl]-1-diethoxyphosphoryl-ethyl]-1-benzothiophene

Systemtic Name: 2-[2-[3,5-bis(trifluoromethyl)phenyl]-1-diethoxyphosphoryl-ethyl]-1-benzothiophene Openeye Name: 2-[2-[3,5-bis(trifluoromethyl)phenyl]-1-diethoxyphosphoryl-ethyl]benzothiophene CAS Name: 2-[2-[3,5-bis(trifluoromethyl)phenyl]-1-diethoxyphosphorylethyl]-1-benzothiophene IUPAC Name: 2-[2-[3,5-bis(trifluoromethyl)phenyl]-1-diethoxyphosphorylethyl]-1-benzothiophene Traditional Name: 2-[2-[3,5-bis(trifluoromethyl)phenyl]-1-diethoxyphosphoryl-ethyl]benzothiophene Formula: C22H21F6O3PS MolecularWeight: 510.42952

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(C(CC1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F)C2=CC3=CC=CC=C3S2)OCC

Isomeric SMILES

CCOP(=O)(C(CC1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F)C2=CC3=CC=CC=C3S2)OCC

InChI

InChI=1S/C22H21F6O3PS/c1-3-30-32(29,31-4-2)18(20-12-15-7-5-6-8-19(15)33-20)11-14-9-16(21(23,24)25)13-17(10-14)22(26,27)28/h5-10,12-13,18H,3-4,11H2,1-2H3