[(4S,5R)-4-methyl-5-oxidanyl-undec-2-ynyl] ethanoate

Systemtic Name: [(4S,5R)-4-methyl-5-oxidanyl-undec-2-ynyl] ethanoate Openeye Name: [(4S,5R)-5-hydroxy-4-methyl-undec-2-ynyl] acetate CAS Name: acetic acid [(4S,5R)-5-hydroxy-4-methylundec-2-ynyl] ester IUPAC Name: [(4S,5R)-5-hydroxy-4-methylundec-2-ynyl] acetate Traditional Name: acetic acid [(4S,5R)-5-hydroxy-4-methyl-undec-2-ynyl] ester Formula: C14H24O3 MolecularWeight: 240.33856

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C(C)C#CCOC(=O)C)O

Isomeric SMILES

CCCCCC[C@H]([C@@H](C)C#CCOC(=O)C)O

InChI

InChI=1S/C14H24O3/c1-4-5-6-7-10-14(16)12(2)9-8-11-17-13(3)15/h12,14,16H,4-7,10-11H2,1-3H3/t12-,14+/m0/s1