heptane; 2-oxidanyl-2-oxidanylidene-ethanoate

Systemtic Name: heptane; 2-oxidanyl-2-oxidanylidene-ethanoate Openeye Name: heptane; 2-hydroxy-2-oxo-acetate CAS Name: heptane; 2-hydroxy-2-oxoacetate IUPAC Name: heptane; 2-hydroxy-2-oxoacetate Traditional Name: n-heptane binoxalate Formula: C9H17O4- MolecularWeight: 189.22888

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC.C(=O)(C(=O)[O-])O

Isomeric SMILES

CCCCCCC.C(=O)(C(=O)[O-])O

InChI

InChI=1S/C7H16.C2H2O4/c1-3-5-7-6-4-2;3-1(4)2(5)6/h3-7H2,1-2H3;(H,3,4)(H,5,6)/p-1