methyl 3-[(1S)-1-[(2R)-7-oxidanylideneoxepan-2-yl]dodecyl]sulfanylpropanoate

Systemtic Name: methyl 3-[(1S)-1-[(2R)-7-oxidanylideneoxepan-2-yl]dodecyl]sulfanylpropanoate Openeye Name: methyl 3-[(1S)-1-[(2R)-7-oxooxepan-2-yl]dodecyl]sulfanylpropanoate CAS Name: 3-[[(1S)-1-[(2R)-7-oxo-2-oxepanyl]dodecyl]thio]propanoic acid methyl ester IUPAC Name: methyl 3-[(1S)-1-[(2R)-7-oxooxepan-2-yl]dodecyl]sulfanylpropanoate Traditional Name: 3-[[(1S)-1-[(2R)-7-ketooxepan-2-yl]dodecyl]thio]propionic acid methyl ester Formula: C22H40O4S MolecularWeight: 400.6156

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(C1CCCCC(=O)O1)SCCC(=O)OC

Isomeric SMILES

CCCCCCCCCCC[C@@H]([C@H]1CCCCC(=O)O1)SCCC(=O)OC

InChI

InChI=1S/C22H40O4S/c1-3-4-5-6-7-8-9-10-11-15-20(27-18-17-21(23)25-2)19-14-12-13-16-22(24)26-19/h19-20H,3-18H2,1-2H3/t19-,20+/m1/s1