[3-[butylsulfanyl(ethoxy)phosphoryl]oxyphenyl] methanesulfonate

Systemtic Name: [3-[butylsulfanyl(ethoxy)phosphoryl]oxyphenyl] methanesulfonate Openeye Name: [3-[butylsulfanyl(ethoxy)phosphoryl]oxyphenyl] methanesulfonate CAS Name: methanesulfonic acid [3-[(butylthio)-ethoxyphosphoryl]oxyphenyl] ester IUPAC Name: [3-[butylsulfanyl(ethoxy)phosphoryl]oxyphenyl] methanesulfonate Traditional Name: methanesulfonic acid [3-[(butylthio)-ethoxy-phosphoryl]oxyphenyl] ester Formula: C13H21O6PS2 MolecularWeight: 368.406001

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSP(=O)(OCC)OC1=CC(=CC=C1)OS(=O)(=O)C

Isomeric SMILES

CCCCSP(=O)(OCC)OC1=CC(=CC=C1)OS(=O)(=O)C

InChI

InChI=1S/C13H21O6PS2/c1-4-6-10-21-20(14,17-5-2)18-12-8-7-9-13(11-12)19-22(3,15)16/h7-9,11H,4-6,10H2,1-3H3