methyl (2S,3S,4S,5R,6R)-3,4,5-triacetyloxy-6-[2-[2,4-bis(chloranyl)phenoxy]ethanoylamino]oxane-2-carboxylate

Systemtic Name: methyl (2S,3S,4S,5R,6R)-3,4,5-triacetyloxy-6-[2-[2,4-bis(chloranyl)phenoxy]ethanoylamino]oxane-2-carboxylate Openeye Name: methyl (2S,3S,4S,5R,6R)-3,4,5-triacetoxy-6-[[2-(2,4-dichlorophenoxy)acetyl]amino]tetrahydropyran-2-carboxylate CAS Name: (2S,3S,4S,5R,6R)-3,4,5-triacetyloxy-6-[[2-(2,4-dichlorophenoxy)-1-oxoethyl]amino]-2-oxanecarboxylic acid methyl ester IUPAC Name: methyl (2S,3S,4S,5R,6R)-3,4,5-triacetyloxy-6-[[2-(2,4-dichlorophenoxy)acetyl]amino]oxane-2-carboxylate Traditional Name: (2S,3S,4S,5R,6R)-3,4,5-triacetoxy-6-[[2-(2,4-dichlorophenoxy)acetyl]amino]tetrahydropyran-2-carboxylic acid methyl ester Formula: C21H23Cl2NO11 MolecularWeight: 536.31342

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1C(C(OC(C1OC(=O)C)NC(=O)COC2=C(C=C(C=C2)Cl)Cl)C(=O)OC)OC(=O)C

Isomeric SMILES

CC(=O)O[C@H]1[C@@H]([C@H](O[C@H]([C@@H]1OC(=O)C)NC(=O)COC2=C(C=C(C=C2)Cl)Cl)C(=O)OC)OC(=O)C

InChI

InChI=1S/C21H23Cl2NO11/c1-9(25)32-16-17(33-10(2)26)19(21(29)30-4)35-20(18(16)34-11(3)27)24-15(28)8-31-14-6-5-12(22)7-13(14)23/h5-7,16-20H,8H2,1-4H3,(H,24,28)/t16-,17-,18+,19-,20+/m0/s1