[(E,4S,5R)-3-methyl-4-oxidanyl-5-(6-oxidanylidene-5-propyl-pyran-2-yl)hex-2-enyl] ethanoate

Systemtic Name: [(E,4S,5R)-3-methyl-4-oxidanyl-5-(6-oxidanylidene-5-propyl-pyran-2-yl)hex-2-enyl] ethanoate Openeye Name: [(E,4S,5R)-4-hydroxy-3-methyl-5-(6-oxo-5-propyl-pyran-2-yl)hex-2-enyl] acetate CAS Name: acetic acid [(E,4S,5R)-4-hydroxy-3-methyl-5-(6-oxo-5-propyl-2-pyranyl)hex-2-enyl] ester IUPAC Name: [(E,4S,5R)-4-hydroxy-3-methyl-5-(6-oxo-5-propylpyran-2-yl)hex-2-enyl] acetate Traditional Name: acetic acid [(E,4S,5R)-4-hydroxy-5-(6-keto-5-propyl-pyran-2-yl)-3-methyl-hex-2-enyl] ester Formula: C17H24O5 MolecularWeight: 308.36946

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(OC1=O)C(C)C(C(=CCOC(=O)C)C)O

Isomeric SMILES

CCCC1=CC=C(OC1=O)[C@H](C)[C@@H](/C(=C/COC(=O)C)/C)O

InChI

InChI=1S/C17H24O5/c1-5-6-14-7-8-15(22-17(14)20)12(3)16(19)11(2)9-10-21-13(4)18/h7-9,12,16,19H,5-6,10H2,1-4H3/b11-9+/t12-,16+/m0/s1