methanesulfonate; 2-[3-(1-oxidanidyl-1-oxidanylidene-propan-2-yl)phenyl]propanoate

Systemtic Name: methanesulfonate; 2-[3-(1-oxidanidyl-1-oxidanylidene-propan-2-yl)phenyl]propanoate Openeye Name: methanesulfonate; 2-[3-(1-methyl-2-oxido-2-oxo-ethyl)phenyl]propanoate CAS Name: methanesulfonate; 2-[3-(1-oxido-1-oxopropan-2-yl)phenyl]propanoate IUPAC Name: methanesulfonate; 2-[3-(1-oxido-1-oxopropan-2-yl)phenyl]propanoate Traditional Name: 2-[3-(2-keto-1-methyl-2-oxido-ethyl)phenyl]propionate dimesylate Formula: C14H18O10S2-4 MolecularWeight: 410.41672

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC(=CC=C1)C(C)C(=O)[O-])C(=O)[O-].CS(=O)(=O)[O-].CS(=O)(=O)[O-]

Isomeric SMILES

CC(C1=CC(=CC=C1)C(C)C(=O)[O-])C(=O)[O-].CS(=O)(=O)[O-].CS(=O)(=O)[O-]

InChI

InChI=1S/C12H14O4.2CH4O3S/c1-7(11(13)14)9-4-3-5-10(6-9)8(2)12(15)16;2*1-5(2,3)4/h3-8H,1-2H3,(H,13,14)(H,15,16);2*1H3,(H,2,3,4)/p-4