2-(hydroxymethyl)-2-methyl-3,4-bis(oxidanyl)-6-oxidanylidene-heptanal

Systemtic Name: 2-(hydroxymethyl)-2-methyl-3,4-bis(oxidanyl)-6-oxidanylidene-heptanal Openeye Name: 3,4-dihydroxy-2-(hydroxymethyl)-2-methyl-6-oxo-heptanal CAS Name: 3,4-dihydroxy-2-(hydroxymethyl)-2-methyl-6-oxoheptanal IUPAC Name: 3,4-dihydroxy-2-(hydroxymethyl)-2-methyl-6-oxoheptanal Traditional Name: 3,4-dihydroxy-6-keto-2-methyl-2-methylol-enanthaldehyde Formula: C9H16O5 MolecularWeight: 204.22034

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H16O5/c1-6(12)3-7(13)8(14)9(2,4-10)5-11/h4,7-8,11,13-14H,3,5H2,1-2H3