ethyl 4-ethyl-3-ethynyl-4-oxidanyl-hexanoate

Systemtic Name: ethyl 4-ethyl-3-ethynyl-4-oxidanyl-hexanoate Openeye Name: ethyl 4-ethyl-3-ethynyl-4-hydroxy-hexanoate CAS Name: 4-ethyl-3-ethynyl-4-hydroxyhexanoic acid ethyl ester IUPAC Name: ethyl 4-ethyl-3-ethynyl-4-hydroxyhexanoate Traditional Name: 3-(1-ethyl-1-hydroxy-propyl)pent-4-ynoic acid ethyl ester Formula: C12H20O3 MolecularWeight: 212.2854

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)(C(CC(=O)OCC)C#C)O

Isomeric SMILES

CCC(CC)(C(CC(=O)OCC)C#C)O

InChI

InChI=1S/C12H20O3/c1-5-10(9-11(13)15-8-4)12(14,6-2)7-3/h1,10,14H,6-9H2,2-4H3