4-(hydroxymethyl)-6-methyl-7-oxidanyl-heptan-3-one

Systemtic Name: 4-(hydroxymethyl)-6-methyl-7-oxidanyl-heptan-3-one Openeye Name: 7-hydroxy-4-(hydroxymethyl)-6-methyl-heptan-3-one CAS Name: 7-hydroxy-4-(hydroxymethyl)-6-methyl-3-heptanone IUPAC Name: 7-hydroxy-4-(hydroxymethyl)-6-methylheptan-3-one Traditional Name: 7-hydroxy-6-methyl-4-methylol-heptan-3-one Formula: C9H18O3 MolecularWeight: 174.23742

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H18O3/c1-3-9(12)8(6-11)4-7(2)5-10/h7-8,10-11H,3-6H2,1-2H3