dimethyl-(4-pentanoyloxyphenyl)sulfanium; methyl sulfate

Systemtic Name: dimethyl-(4-pentanoyloxyphenyl)sulfanium; methyl sulfate Openeye Name: dimethyl-(4-pentanoyloxyphenyl)sulfonium; methyl sulfate CAS Name: dimethyl-[4-(1-oxopentoxy)phenyl]sulfonium; methyl sulfate IUPAC Name: dimethyl-(4-pentanoyloxyphenyl)sulfanium; methyl sulfate Traditional Name: dimethyl-(4-valeryloxyphenyl)sulfonium; methyl sulfate Formula: C14H22O6S2 MolecularWeight: 350.45088

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H19O2S.CH4O4S/c1-4-5-6-13(14)15-11-7-9-12(10-8-11)16(2)3;1-5-6(2,3)4/h7-10H,4-6H2,1-3H3;1H3,(H,2,3,4)/q+1;/p-1