methyl (2S)-3-ethenylidene-2-oxidanyl-decanoate

Systemtic Name: methyl (2S)-3-ethenylidene-2-oxidanyl-decanoate Openeye Name: methyl (2S)-2-hydroxy-3-vinylidene-decanoate CAS Name: (2S)-3-ethenylidene-2-hydroxydecanoic acid methyl ester IUPAC Name: methyl (2S)-3-ethenylidene-2-hydroxydecanoate Traditional Name: (2S)-3-heptyl-2-hydroxy-penta-3,4-dienoic acid methyl ester Formula: C13H22O3 MolecularWeight: 226.31198

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=C=C)C(C(=O)OC)O

Isomeric SMILES

CCCCCCCC(=C=C)[C@@H](C(=O)OC)O

InChI

InChI=1S/C13H22O3/c1-4-6-7-8-9-10-11(5-2)12(14)13(15)16-3/h12,14H,2,4,6-10H2,1,3H3/t12-/m0/s1