4-(hydroxymethyl)-4,5-bis(oxidanyl)heptan-2-one

Systemtic Name: 4-(hydroxymethyl)-4,5-bis(oxidanyl)heptan-2-one Openeye Name: 4,5-dihydroxy-4-(hydroxymethyl)heptan-2-one CAS Name: 4,5-dihydroxy-4-(hydroxymethyl)-2-heptanone IUPAC Name: 4,5-dihydroxy-4-(hydroxymethyl)heptan-2-one Traditional Name: 4,5-dihydroxy-4-methylol-heptan-2-one Formula: C8H16O4 MolecularWeight: 176.21024

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(CC(=O)C)(CO)O)O

Isomeric SMILES

CCC(C(CC(=O)C)(CO)O)O

InChI

InChI=1S/C8H16O4/c1-3-7(11)8(12,5-9)4-6(2)10/h7,9,11-12H,3-5H2,1-2H3