[(2S,3R,4R,5S,6S)-3-acetyloxy-2-ethylsulfanyl-6-methyl-5-prop-2-enoxy-oxan-4-yl] benzoate

Systemtic Name: [(2S,3R,4R,5S,6S)-3-acetyloxy-2-ethylsulfanyl-6-methyl-5-prop-2-enoxy-oxan-4-yl] benzoate Openeye Name: [(2S,3R,4R,5S,6S)-3-acetoxy-5-allyloxy-2-ethylsulfanyl-6-methyl-tetrahydropyran-4-yl] benzoate CAS Name: benzoic acid [(2S,3R,4R,5S,6S)-3-acetyloxy-2-(ethylthio)-6-methyl-5-prop-2-enoxy-4-oxanyl] ester IUPAC Name: [(2S,3R,4R,5S,6S)-3-acetyloxy-2-ethylsulfanyl-6-methyl-5-prop-2-enoxyoxan-4-yl] benzoate Traditional Name: benzoic acid [(2S,3R,4R,5S,6S)-3-acetoxy-5-allyloxy-2-(ethylthio)-6-methyl-tetrahydropyran-4-yl] ester Formula: C20H26O6S MolecularWeight: 394.48184

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCSC1C(C(C(C(O1)C)OCC=C)OC(=O)C2=CC=CC=C2)OC(=O)C

Isomeric SMILES

CCS[C@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)C)OCC=C)OC(=O)C2=CC=CC=C2)OC(=O)C

InChI

InChI=1S/C20H26O6S/c1-5-12-23-16-13(3)24-20(27-6-2)18(25-14(4)21)17(16)26-19(22)15-10-8-7-9-11-15/h5,7-11,13,16-18,20H,1,6,12H2,2-4H3/t13-,16-,17+,18+,20-/m0/s1