methyl (2S,3S,4S,5R)-3,4,5-tris(2-methylpropanoyloxy)-6-phenylsulfanyl-oxane-2-carboxylate

Systemtic Name: methyl (2S,3S,4S,5R)-3,4,5-tris(2-methylpropanoyloxy)-6-phenylsulfanyl-oxane-2-carboxylate Openeye Name: methyl (2S,3S,4S,5R)-3,4,5-tris(2-methylpropanoyloxy)-6-phenylsulfanyl-tetrahydropyran-2-carboxylate CAS Name: (2S,3S,4S,5R)-3,4,5-tris(2-methyl-1-oxopropoxy)-6-(phenylthio)-2-oxanecarboxylic acid methyl ester IUPAC Name: methyl (2S,3S,4S,5R)-3,4,5-tris(2-methylpropanoyloxy)-6-phenylsulfanyloxane-2-carboxylate Traditional Name: (2S,3S,4S,5R)-3,4,5-triisobutyryloxy-6-(phenylthio)tetrahydropyran-2-carboxylic acid methyl ester Formula: C25H34O9S MolecularWeight: 510.59706

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)OC1C(C(OC(C1OC(=O)C(C)C)SC2=CC=CC=C2)C(=O)OC)OC(=O)C(C)C

Isomeric SMILES

CC(C)C(=O)O[C@H]1[C@@H]([C@H](OC([C@@H]1OC(=O)C(C)C)SC2=CC=CC=C2)C(=O)OC)OC(=O)C(C)C

InChI

InChI=1S/C25H34O9S/c1-13(2)21(26)31-17-18(32-22(27)14(3)4)20(33-23(28)15(5)6)25(34-19(17)24(29)30-7)35-16-11-9-8-10-12-16/h8-15,17-20,25H,1-7H3/t17-,18-,19-,20+,25?/m0/s1