[(E,4S,5R)-4-methyl-5-oxidanyl-undec-6-en-2-ynyl] ethanoate

Systemtic Name: [(E,4S,5R)-4-methyl-5-oxidanyl-undec-6-en-2-ynyl] ethanoate Openeye Name: [(E,4S,5R)-5-hydroxy-4-methyl-undec-6-en-2-ynyl] acetate CAS Name: acetic acid [(E,4S,5R)-5-hydroxy-4-methylundec-6-en-2-ynyl] ester IUPAC Name: [(E,4S,5R)-5-hydroxy-4-methylundec-6-en-2-ynyl] acetate Traditional Name: acetic acid [(E,4S,5R)-5-hydroxy-4-methyl-undec-6-en-2-ynyl] ester Formula: C14H22O3 MolecularWeight: 238.32268

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC=CC(C(C)C#CCOC(=O)C)O

Isomeric SMILES

CCCC/C=C/[C@H]([C@@H](C)C#CCOC(=O)C)O

InChI

InChI=1S/C14H22O3/c1-4-5-6-7-10-14(16)12(2)9-8-11-17-13(3)15/h7,10,12,14,16H,4-6,11H2,1-3H3/b10-7+/t12-,14+/m0/s1