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

Systemtic Name: [(2S,3S,4R,5S,6S)-4-acetyloxy-6-ethoxy-5-ethylsulfanyl-2-methyl-oxan-3-yl] benzoate Openeye Name: [(2S,3S,4R,5S,6S)-4-acetoxy-6-ethoxy-5-ethylsulfanyl-2-methyl-tetrahydropyran-3-yl] benzoate CAS Name: benzoic acid [(2S,3S,4R,5S,6S)-4-acetyloxy-6-ethoxy-5-(ethylthio)-2-methyl-3-oxanyl] ester IUPAC Name: [(2S,3S,4R,5S,6S)-4-acetyloxy-6-ethoxy-5-ethylsulfanyl-2-methyloxan-3-yl] benzoate Traditional Name: benzoic acid [(2S,3S,4R,5S,6S)-4-acetoxy-6-ethoxy-5-(ethylthio)-2-methyl-tetrahydropyran-3-yl] ester Formula: C19H26O6S MolecularWeight: 382.47114

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1C(C(C(C(O1)C)OC(=O)C2=CC=CC=C2)OC(=O)C)SCC

Isomeric SMILES

CCO[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)C)OC(=O)C2=CC=CC=C2)OC(=O)C)SCC

InChI

InChI=1S/C19H26O6S/c1-5-22-19-17(26-6-2)16(24-13(4)20)15(12(3)23-19)25-18(21)14-10-8-7-9-11-14/h7-12,15-17,19H,5-6H2,1-4H3/t12-,15-,16+,17-,19-/m0/s1