[methyl(propan-2-yloxy)phosphoryl]methyl 2-methylsulfanyl-6-(trifluoromethyl)benzenesulfonate

Systemtic Name: [methyl(propan-2-yloxy)phosphoryl]methyl 2-methylsulfanyl-6-(trifluoromethyl)benzenesulfonate Openeye Name: [isopropoxy(methyl)phosphoryl]methyl 2-methylsulfanyl-6-(trifluoromethyl)benzenesulfonate CAS Name: 2-(methylthio)-6-(trifluoromethyl)benzenesulfonic acid [methyl(propan-2-yloxy)phosphoryl]methyl ester IUPAC Name: [methyl(propan-2-yloxy)phosphoryl]methyl 2-methylsulfanyl-6-(trifluoromethyl)benzenesulfonate Traditional Name: 2-(methylthio)-6-(trifluoromethyl)benzenesulfonic acid [isopropoxy(methyl)phosphoryl]methyl ester Formula: C13H18F3O5PS2 MolecularWeight: 406.377991

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OP(=O)(C)COS(=O)(=O)C1=C(C=CC=C1SC)C(F)(F)F

Isomeric SMILES

CC(C)OP(=O)(C)COS(=O)(=O)C1=C(C=CC=C1SC)C(F)(F)F

InChI

InChI=1S/C13H18F3O5PS2/c1-9(2)21-22(3,17)8-20-24(18,19)12-10(13(14,15)16)6-5-7-11(12)23-4/h5-7,9H,8H2,1-4H3