ethyl (3S)-3-ethynyl-3-(hydroxymethyl)-6-oxidanyl-hexanoate

Systemtic Name: ethyl (3S)-3-ethynyl-3-(hydroxymethyl)-6-oxidanyl-hexanoate Openeye Name: ethyl (3S)-3-ethynyl-6-hydroxy-3-(hydroxymethyl)hexanoate CAS Name: (3S)-3-ethynyl-6-hydroxy-3-(hydroxymethyl)hexanoic acid ethyl ester IUPAC Name: ethyl (3S)-3-ethynyl-6-hydroxy-3-(hydroxymethyl)hexanoate Traditional Name: (3S)-3-(3-hydroxypropyl)-3-methylol-pent-4-ynoic acid ethyl ester Formula: C11H18O4 MolecularWeight: 214.25822

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(CCCO)(CO)C#C

Isomeric SMILES

CCOC(=O)C[C@](CCCO)(CO)C#C

InChI

InChI=1S/C11H18O4/c1-3-11(9-13,6-5-7-12)8-10(14)15-4-2/h1,12-13H,4-9H2,2H3/t11-/m0/s1