2-[2-(2-chloranyl-4-fluoranyl-phenyl)-1-diethoxyphosphoryl-ethyl]-1-benzothiophene

Systemtic Name: 2-[2-(2-chloranyl-4-fluoranyl-phenyl)-1-diethoxyphosphoryl-ethyl]-1-benzothiophene Openeye Name: 2-[2-(2-chloro-4-fluoro-phenyl)-1-diethoxyphosphoryl-ethyl]benzothiophene CAS Name: 2-[2-(2-chloro-4-fluorophenyl)-1-diethoxyphosphorylethyl]-1-benzothiophene IUPAC Name: 2-[2-(2-chloro-4-fluorophenyl)-1-diethoxyphosphorylethyl]-1-benzothiophene Traditional Name: 2-[2-(2-chloro-4-fluoro-phenyl)-1-diethoxyphosphoryl-ethyl]benzothiophene Formula: C20H21ClFO3PS MolecularWeight: 426.869104

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21ClFO3PS/c1-3-24-26(23,25-4-2)18(11-14-9-10-16(22)13-17(14)21)20-12-15-7-5-6-8-19(15)27-20/h5-10,12-13,18H,3-4,11H2,1-2H3