propan-2-one; [3,4,5,6-tetrakis(oxidanyl)-1-oxidanylidene-hexan-2-yl] butanoate

Systemtic Name: propan-2-one; [3,4,5,6-tetrakis(oxidanyl)-1-oxidanylidene-hexan-2-yl] butanoate Openeye Name: acetone; (1-formyl-2,3,4,5-tetrahydroxy-pentyl) butanoate CAS Name: butanoic acid (3,4,5,6-tetrahydroxy-1-oxohexan-2-yl) ester; 2-propanone IUPAC Name: propan-2-one; (3,4,5,6-tetrahydroxy-1-oxohexan-2-yl) butanoate Traditional Name: acetone; butyric acid (1-formyl-2,3,4,5-tetrahydroxy-pentyl) ester Formula: C16H30O9 MolecularWeight: 366.404

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)OC(C=O)C(C(C(CO)O)O)O.CC(=O)C.CC(=O)C

Isomeric SMILES

CCCC(=O)OC(C=O)C(C(C(CO)O)O)O.CC(=O)C.CC(=O)C

InChI

InChI=1S/C10H18O7.2C3H6O/c1-2-3-8(14)17-7(5-12)10(16)9(15)6(13)4-11;2*1-3(2)4/h5-7,9-11,13,15-16H,2-4H2,1H3;2*1-2H3