[4,6-dimethyl-3-(2-methyloxiran-2-yl)-2-oxidanyl-phenyl] hydrogen sulfate ethanoate

Systemtic Name: [4,6-dimethyl-3-(2-methyloxiran-2-yl)-2-oxidanyl-phenyl] hydrogen sulfate ethanoate Openeye Name: [2-hydroxy-4,6-dimethyl-3-(2-methyloxiran-2-yl)phenyl] hydrogen sulfate acetate CAS Name: sulfuric acid [2-hydroxy-4,6-dimethyl-3-(2-methyl-2-oxiranyl)phenyl] ester acetate IUPAC Name: [2-hydroxy-4,6-dimethyl-3-(2-methyloxiran-2-yl)phenyl] hydrogen sulfate acetate Traditional Name: sulfuric acid [2-hydroxy-4,6-dimethyl-3-(2-methyloxiran-2-yl)phenyl] ester acetate Formula: C13H17O8S- MolecularWeight: 333.33428

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1C2(CO2)C)O)OS(=O)(=O)O)C.CC(=O)[O-]

Isomeric SMILES

CC1=CC(=C(C(=C1C2(CO2)C)O)OS(=O)(=O)O)C.CC(=O)[O-]

InChI

InChI=1S/C11H14O6S.C2H4O2/c1-6-4-7(2)10(17-18(13,14)15)9(12)8(6)11(3)5-16-11;1-2(3)4/h4,12H,5H2,1-3H3,(H,13,14,15);1H3,(H,3,4)/p-1