[(E,2R,3S)-3-acetyloxy-6,6-bis(ethylsulfanyl)-2-oxidanyl-hex-4-enyl] ethanoate

Systemtic Name: [(E,2R,3S)-3-acetyloxy-6,6-bis(ethylsulfanyl)-2-oxidanyl-hex-4-enyl] ethanoate Openeye Name: [(E,2R,3S)-3-acetoxy-6,6-bis(ethylsulfanyl)-2-hydroxy-hex-4-enyl] acetate CAS Name: acetic acid [(E,2R,3S)-3-acetyloxy-6,6-bis(ethylthio)-2-hydroxyhex-4-enyl] ester IUPAC Name: [(E,2R,3S)-3-acetyloxy-6,6-bis(ethylsulfanyl)-2-hydroxyhex-4-enyl] acetate Traditional Name: acetic acid [(E,2R,3S)-3-acetoxy-6,6-bis(ethylthio)-2-hydroxy-hex-4-enyl] ester Formula: C14H24O5S2 MolecularWeight: 336.46736

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Descriptors Computed from Structure

Canonical SMILES:

CCSC(C=CC(C(COC(=O)C)O)OC(=O)C)SCC

Isomeric SMILES

CCSC(/C=C/[C@@H]([C@@H](COC(=O)C)O)OC(=O)C)SCC

InChI

InChI=1S/C14H24O5S2/c1-5-20-14(21-6-2)8-7-13(19-11(4)16)12(17)9-18-10(3)15/h7-8,12-14,17H,5-6,9H2,1-4H3/b8-7+/t12-,13+/m1/s1