heptane; 2,3,4-tris(oxidanyl)-4-oxidanylidene-butanoate

Systemtic Name: heptane; 2,3,4-tris(oxidanyl)-4-oxidanylidene-butanoate Openeye Name: heptane; 2,3,4-trihydroxy-4-oxo-butanoate CAS Name: heptane; 2,3,4-trihydroxy-4-oxobutanoate IUPAC Name: heptane; 2,3,4-trihydroxy-4-oxobutanoate Traditional Name: n-heptane; 2,3,4-trihydroxy-4-keto-butyrate Formula: C11H21O6- MolecularWeight: 249.28084

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C7H16.C4H6O6/c1-3-5-7-6-4-2;5-1(3(7)8)2(6)4(9)10/h3-7H2,1-2H3;1-2,5-6H,(H,7,8)(H,9,10)/p-1