[2,5-dimethyl-2,5-bis(oxidanyl)hex-3-ynyl] methanoate ethanoate

Systemtic Name: [2,5-dimethyl-2,5-bis(oxidanyl)hex-3-ynyl] methanoate ethanoate Openeye Name: (2,5-dihydroxy-2,5-dimethyl-hex-3-ynyl) formate acetate CAS Name: formic acid (2,5-dihydroxy-2,5-dimethylhex-3-ynyl) ester acetate IUPAC Name: (2,5-dihydroxy-2,5-dimethylhex-3-ynyl) formate acetate Traditional Name: formic acid (2,5-dihydroxy-2,5-dimethyl-hex-3-ynyl) ester acetate Formula: C11H17O6- MolecularWeight: 245.24908

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)[O-].CC(C)(C#CC(C)(COC=O)O)O

Isomeric SMILES

CC(=O)[O-].CC(C)(C#CC(C)(COC=O)O)O

InChI

InChI=1S/C9H14O4.C2H4O2/c1-8(2,11)4-5-9(3,12)6-13-7-10;1-2(3)4/h7,11-12H,6H2,1-3H3;1H3,(H,3,4)/p-1