[(2S,3S)-6-oxidanylidene-2-[(E)-prop-1-enyl]-2,3-dihydropyran-3-yl] 2-methyloctanoate

Systemtic Name: [(2S,3S)-6-oxidanylidene-2-[(E)-prop-1-enyl]-2,3-dihydropyran-3-yl] 2-methyloctanoate Openeye Name: [(2S,3S)-6-oxo-2-[(E)-prop-1-enyl]-2,3-dihydropyran-3-yl] 2-methyloctanoate CAS Name: 2-methyloctanoic acid [(2S,3S)-6-oxo-2-[(E)-prop-1-enyl]-2,3-dihydropyran-3-yl] ester IUPAC Name: [(2S,3S)-6-oxo-2-[(E)-prop-1-enyl]-2,3-dihydropyran-3-yl] 2-methyloctanoate Traditional Name: 2-methylcaprylic acid [(2S,3S)-6-keto-2-[(E)-prop-1-enyl]-2,3-dihydropyran-3-yl] ester Formula: C17H26O4 MolecularWeight: 294.38594

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C)C(=O)OC1C=CC(=O)OC1C=CC

Isomeric SMILES

CCCCCCC(C)C(=O)O[C@H]1C=CC(=O)O[C@H]1/C=C/C

InChI

InChI=1S/C17H26O4/c1-4-6-7-8-10-13(3)17(19)21-15-11-12-16(18)20-14(15)9-5-2/h5,9,11-15H,4,6-8,10H2,1-3H3/b9-5+/t13?,14-,15-/m0/s1