O-phenethyl [1-diethoxyphosphoryl-4,4,4-tris(fluoranyl)butan-2-yl]sulfanylmethanethioate

Systemtic Name: O-phenethyl [1-diethoxyphosphoryl-4,4,4-tris(fluoranyl)butan-2-yl]sulfanylmethanethioate Openeye Name: O-phenethyl [1-(diethoxyphosphorylmethyl)-3,3,3-trifluoro-propyl]sulfanylmethanethioate CAS Name: [(1-diethoxyphosphoryl-4,4,4-trifluorobutan-2-yl)thio]methanethioic acid O-phenethyl ester IUPAC Name: O-phenethyl (1-diethoxyphosphoryl-4,4,4-trifluorobutan-2-yl)sulfanylmethanethioate Traditional Name: [[1-(diethoxyphosphorylmethyl)-3,3,3-trifluoro-propyl]thio]methanethioic acid O-phenethyl ester Formula: C17H24F3O4PS2 MolecularWeight: 444.469031

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(CC(CC(F)(F)F)SC(=S)OCCC1=CC=CC=C1)OCC

Isomeric SMILES

CCOP(=O)(CC(CC(F)(F)F)SC(=S)OCCC1=CC=CC=C1)OCC

InChI

InChI=1S/C17H24F3O4PS2/c1-3-23-25(21,24-4-2)13-15(12-17(18,19)20)27-16(26)22-11-10-14-8-6-5-7-9-14/h5-9,15H,3-4,10-13H2,1-2H3