(2-butoxycarbonyloxyphenyl)-dimethyl-sulfanium; methyl sulfate

Systemtic Name: (2-butoxycarbonyloxyphenyl)-dimethyl-sulfanium; methyl sulfate Openeye Name: (2-butoxycarbonyloxyphenyl)-dimethyl-sulfonium; methyl sulfate CAS Name: [2-[butoxy(oxo)methoxy]phenyl]-dimethylsulfonium; methyl sulfate IUPAC Name: (2-butoxycarbonyloxyphenyl)-dimethylsulfanium; methyl sulfate Traditional Name: (2-butoxycarbonyloxyphenyl)-dimethyl-sulfonium; methyl sulfate Formula: C14H22O7S2 MolecularWeight: 366.45028

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)OC1=CC=CC=C1[S+](C)C.COS(=O)(=O)[O-]

Isomeric SMILES

CCCCOC(=O)OC1=CC=CC=C1[S+](C)C.COS(=O)(=O)[O-]

InChI

InChI=1S/C13H19O3S.CH4O4S/c1-4-5-10-15-13(14)16-11-8-6-7-9-12(11)17(2)3;1-5-6(2,3)4/h6-9H,4-5,10H2,1-3H3;1H3,(H,2,3,4)/q+1;/p-1