[4-[butan-2-ylsulfanyl(ethoxy)phosphoryl]sulfanylphenyl] methanesulfonate

Systemtic Name: [4-[butan-2-ylsulfanyl(ethoxy)phosphoryl]sulfanylphenyl] methanesulfonate Openeye Name: [4-[ethoxy(sec-butylsulfanyl)phosphoryl]sulfanylphenyl] methanesulfonate CAS Name: methanesulfonic acid [4-[[(butan-2-ylthio)-ethoxyphosphoryl]thio]phenyl] ester IUPAC Name: [4-[butan-2-ylsulfanyl(ethoxy)phosphoryl]sulfanylphenyl] methanesulfonate Traditional Name: methanesulfonic acid [4-[[ethoxy-(sec-butylthio)phosphoryl]thio]phenyl] ester Formula: C13H21O5PS3 MolecularWeight: 384.471601

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)SP(=O)(OCC)SC1=CC=C(C=C1)OS(=O)(=O)C

Isomeric SMILES

CCC(C)SP(=O)(OCC)SC1=CC=C(C=C1)OS(=O)(=O)C

InChI

InChI=1S/C13H21O5PS3/c1-5-11(3)20-19(14,17-6-2)21-13-9-7-12(8-10-13)18-22(4,15)16/h7-11H,5-6H2,1-4H3