[(2R,3R,4S,5R,6S)-4,5-diacetyloxy-6-ethylsulfanyl-3-oxidanyl-oxan-2-yl]methyl benzoate

Systemtic Name: [(2R,3R,4S,5R,6S)-4,5-diacetyloxy-6-ethylsulfanyl-3-oxidanyl-oxan-2-yl]methyl benzoate Openeye Name: [(2R,3R,4S,5R,6S)-4,5-diacetoxy-6-ethylsulfanyl-3-hydroxy-tetrahydropyran-2-yl]methyl benzoate CAS Name: benzoic acid [(2R,3R,4S,5R,6S)-4,5-diacetyloxy-6-(ethylthio)-3-hydroxy-2-oxanyl]methyl ester IUPAC Name: [(2R,3R,4S,5R,6S)-4,5-diacetyloxy-6-ethylsulfanyl-3-hydroxyoxan-2-yl]methyl benzoate Traditional Name: benzoic acid [(2R,3R,4S,5R,6S)-4,5-diacetoxy-6-(ethylthio)-3-hydroxy-tetrahydropyran-2-yl]methyl ester Formula: C19H24O8S MolecularWeight: 412.45406

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H24O8S/c1-4-28-19-17(26-12(3)21)16(25-11(2)20)15(22)14(27-19)10-24-18(23)13-8-6-5-7-9-13/h5-9,14-17,19,22H,4,10H2,1-3H3/t14-,15-,16+,17-,19+/m1/s1