[(4S,5S,6S)-4,6-dimethyl-5,7-bis(oxidanyl)hept-2-ynyl] ethanoate

Systemtic Name: [(4S,5S,6S)-4,6-dimethyl-5,7-bis(oxidanyl)hept-2-ynyl] ethanoate Openeye Name: [(4S,5S,6S)-5,7-dihydroxy-4,6-dimethyl-hept-2-ynyl] acetate CAS Name: acetic acid [(4S,5S,6S)-5,7-dihydroxy-4,6-dimethylhept-2-ynyl] ester IUPAC Name: [(4S,5S,6S)-5,7-dihydroxy-4,6-dimethylhept-2-ynyl] acetate Traditional Name: acetic acid [(4S,5S,6S)-5,7-dihydroxy-4,6-dimethyl-hept-2-ynyl] ester Formula: C11H18O4 MolecularWeight: 214.25822

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H18O4/c1-8(11(14)9(2)7-12)5-4-6-15-10(3)13/h8-9,11-12,14H,6-7H2,1-3H3/t8-,9-,11-/m0/s1