(3-fluorophenyl) 4-[ethoxy(2-methylpropylsulfanyl)phosphoryl]oxy-2-methyl-benzenesulfonate

Systemtic Name: (3-fluorophenyl) 4-[ethoxy(2-methylpropylsulfanyl)phosphoryl]oxy-2-methyl-benzenesulfonate Openeye Name: (3-fluorophenyl) 4-[ethoxy(isobutylsulfanyl)phosphoryl]oxy-2-methyl-benzenesulfonate CAS Name: 4-[ethoxy-(2-methylpropylthio)phosphoryl]oxy-2-methylbenzenesulfonic acid (3-fluorophenyl) ester IUPAC Name: (3-fluorophenyl) 4-[ethoxy(2-methylpropylsulfanyl)phosphoryl]oxy-2-methylbenzenesulfonate Traditional Name: 4-[ethoxy-(isobutylthio)phosphoryl]oxy-2-methyl-benzenesulfonic acid (3-fluorophenyl) ester Formula: C19H24FO6PS2 MolecularWeight: 462.492424

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(OC1=CC(=C(C=C1)S(=O)(=O)OC2=CC(=CC=C2)F)C)SCC(C)C

Isomeric SMILES

CCOP(=O)(OC1=CC(=C(C=C1)S(=O)(=O)OC2=CC(=CC=C2)F)C)SCC(C)C

InChI

InChI=1S/C19H24FO6PS2/c1-5-24-27(21,28-13-14(2)3)25-17-9-10-19(15(4)11-17)29(22,23)26-18-8-6-7-16(20)12-18/h6-12,14H,5,13H2,1-4H3