[(E,2R,3S)-3-acetyloxy-5-[(5Z)-1-oxacyclonon-5-en-3-yn-2-yl]-2-oxidanyl-pent-4-enyl] ethanoate

Systemtic Name: [(E,2R,3S)-3-acetyloxy-5-[(5Z)-1-oxacyclonon-5-en-3-yn-2-yl]-2-oxidanyl-pent-4-enyl] ethanoate Openeye Name: [(E,2R,3S)-3-acetoxy-2-hydroxy-5-[(5Z)-1-oxacyclonon-5-en-3-yn-2-yl]pent-4-enyl] acetate CAS Name: acetic acid [(E,2R,3S)-3-acetyloxy-2-hydroxy-5-[(5Z)-1-oxacyclonon-5-en-3-yn-2-yl]pent-4-enyl] ester IUPAC Name: [(E,2R,3S)-3-acetyloxy-2-hydroxy-5-[(5Z)-1-oxacyclonon-5-en-3-yn-2-yl]pent-4-enyl] acetate Traditional Name: acetic acid [(E,2R,3S)-3-acetoxy-2-hydroxy-5-[(5Z)-1-oxacyclonon-5-en-3-yn-2-yl]pent-4-enyl] ester Formula: C17H22O6 MolecularWeight: 322.35298

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC(C(C=CC1C#CC=CCCCO1)OC(=O)C)O

Isomeric SMILES

CC(=O)OC[C@H]([C@H](/C=C/C1C#C/C=C\CCCO1)OC(=O)C)O

InChI

InChI=1S/C17H22O6/c1-13(18)22-12-16(20)17(23-14(2)19)10-9-15-8-6-4-3-5-7-11-21-15/h3-4,9-10,15-17,20H,5,7,11-12H2,1-2H3/b4-3-,10-9+/t15?,16-,17+/m1/s1