2-[2-[3,4-bis(fluoranyl)phenyl]-1-diethoxyphosphoryl-ethyl]-6-methoxy-3-methyl-1-benzothiophene

Systemtic Name: 2-[2-[3,4-bis(fluoranyl)phenyl]-1-diethoxyphosphoryl-ethyl]-6-methoxy-3-methyl-1-benzothiophene Openeye Name: 2-[1-diethoxyphosphoryl-2-(3,4-difluorophenyl)ethyl]-6-methoxy-3-methyl-benzothiophene CAS Name: 2-[1-diethoxyphosphoryl-2-(3,4-difluorophenyl)ethyl]-6-methoxy-3-methyl-1-benzothiophene IUPAC Name: 2-[1-diethoxyphosphoryl-2-(3,4-difluorophenyl)ethyl]-6-methoxy-3-methyl-1-benzothiophene Traditional Name: 2-[1-diethoxyphosphoryl-2-(3,4-difluorophenyl)ethyl]-6-methoxy-3-methyl-benzothiophene Formula: C22H25F2O4PS MolecularWeight: 454.467067

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(C(CC1=CC(=C(C=C1)F)F)C2=C(C3=C(S2)C=C(C=C3)OC)C)OCC

Isomeric SMILES

CCOP(=O)(C(CC1=CC(=C(C=C1)F)F)C2=C(C3=C(S2)C=C(C=C3)OC)C)OCC

InChI

InChI=1S/C22H25F2O4PS/c1-5-27-29(25,28-6-2)20(12-15-7-10-18(23)19(24)11-15)22-14(3)17-9-8-16(26-4)13-21(17)30-22/h7-11,13,20H,5-6,12H2,1-4H3