2-[3,3-dimethylbutan-2-yloxy(methyl)phosphoryl]sulfanylethyl-ethyl-methyl-sulfanium; methyl sulfate

Systemtic Name: 2-[3,3-dimethylbutan-2-yloxy(methyl)phosphoryl]sulfanylethyl-ethyl-methyl-sulfanium; methyl sulfate Openeye Name: ethyl-methyl-[2-[methyl(1,2,2-trimethylpropoxy)phosphoryl]sulfanylethyl]sulfonium; methyl sulfate CAS Name: 2-[[3,3-dimethylbutan-2-yloxy(methyl)phosphoryl]thio]ethyl-ethyl-methylsulfonium; methyl sulfate IUPAC Name: 2-[3,3-dimethylbutan-2-yloxy(methyl)phosphoryl]sulfanylethyl-ethyl-methylsulfanium; methyl sulfate Traditional Name: ethyl-methyl-[2-[[methyl(1,2,2-trimethylpropoxy)phosphoryl]thio]ethyl]sulfonium; methyl sulfate Formula: C13H31O6PS3 MolecularWeight: 410.550401

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Descriptors Computed from Structure

Canonical SMILES:

CC[S+](C)CCSP(=O)(C)OC(C)C(C)(C)C.COS(=O)(=O)[O-]

Isomeric SMILES

CC[S+](C)CCSP(=O)(C)OC(C)C(C)(C)C.COS(=O)(=O)[O-]

InChI

InChI=1S/C12H28O2PS2.CH4O4S/c1-8-17(7)10-9-16-15(6,13)14-11(2)12(3,4)5;1-5-6(2,3)4/h11H,8-10H2,1-7H3;1H3,(H,2,3,4)/q+1;/p-1