ethyl 3-(hydroxymethyl)-3-oxidanyl-hexanoate

Systemtic Name: ethyl 3-(hydroxymethyl)-3-oxidanyl-hexanoate Openeye Name: ethyl 3-hydroxy-3-(hydroxymethyl)hexanoate CAS Name: 3-hydroxy-3-(hydroxymethyl)hexanoic acid ethyl ester IUPAC Name: ethyl 3-hydroxy-3-(hydroxymethyl)hexanoate Traditional Name: 3-hydroxy-3-methylol-hexanoic acid ethyl ester Formula: C9H18O4 MolecularWeight: 190.23682

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(CC(=O)OCC)(CO)O

Isomeric SMILES

CCCC(CC(=O)OCC)(CO)O

InChI

InChI=1S/C9H18O4/c1-3-5-9(12,7-10)6-8(11)13-4-2/h10,12H,3-7H2,1-2H3