2-[2-[3,4-bis(fluoranyl)phenyl]-1-diethoxyphosphoryl-ethyl]-3-propan-2-yl-1-benzothiophene

Systemtic Name: 2-[2-[3,4-bis(fluoranyl)phenyl]-1-diethoxyphosphoryl-ethyl]-3-propan-2-yl-1-benzothiophene Openeye Name: 2-[1-diethoxyphosphoryl-2-(3,4-difluorophenyl)ethyl]-3-isopropyl-benzothiophene CAS Name: 2-[1-diethoxyphosphoryl-2-(3,4-difluorophenyl)ethyl]-3-propan-2-yl-1-benzothiophene IUPAC Name: 2-[1-diethoxyphosphoryl-2-(3,4-difluorophenyl)ethyl]-3-propan-2-yl-1-benzothiophene Traditional Name: 2-[1-diethoxyphosphoryl-2-(3,4-difluorophenyl)ethyl]-3-isopropyl-benzothiophene Formula: C23H27F2O3PS MolecularWeight: 452.494247

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H27F2O3PS/c1-5-27-29(26,28-6-2)20(14-16-11-12-18(24)19(25)13-16)23-22(15(3)4)17-9-7-8-10-21(17)30-23/h7-13,15,20H,5-6,14H2,1-4H3