1,3-bis(dioxidanyl)-6-oxidanyl-hexane-2,5-dione; butan-2-one

Systemtic Name: 1,3-bis(dioxidanyl)-6-oxidanyl-hexane-2,5-dione; butan-2-one Openeye Name: butan-2-one; 1,3-dihydroperoxy-6-hydroxy-hexane-2,5-dione CAS Name: 2-butanone; 1,3-dihydroperoxy-6-hydroxyhexane-2,5-dione IUPAC Name: butan-2-one; 1,3-dihydroperoxy-6-hydroxyhexane-2,5-dione Traditional Name: butan-2-one; 1,3-dihydroperoxy-6-hydroxy-hexane-2,5-dione Formula: C14H26O9 MolecularWeight: 338.35084

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C.CCC(=O)C.C(C(C(=O)COO)OO)C(=O)CO

Isomeric SMILES

CCC(=O)C.CCC(=O)C.C(C(C(=O)COO)OO)C(=O)CO

InChI

InChI=1S/C6H10O7.2C4H8O/c7-2-4(8)1-6(13-11)5(9)3-12-10;2*1-3-4(2)5/h6-7,10-11H,1-3H2;2*3H2,1-2H3