[(2S,4R,5S,6R)-4,5-diacetyloxy-6-(acetyloxymethyl)oxan-2-yl] 4-chloranylbenzoate

Systemtic Name: [(2S,4R,5S,6R)-4,5-diacetyloxy-6-(acetyloxymethyl)oxan-2-yl] 4-chloranylbenzoate Openeye Name: [(2S,4R,5S,6R)-4,5-diacetoxy-6-(acetoxymethyl)tetrahydropyran-2-yl] 4-chlorobenzoate CAS Name: 4-chlorobenzoic acid [(2S,4R,5S,6R)-4,5-diacetyloxy-6-(acetyloxymethyl)-2-oxanyl] ester IUPAC Name: [(2S,4R,5S,6R)-4,5-diacetyloxy-6-(acetyloxymethyl)oxan-2-yl] 4-chlorobenzoate Traditional Name: 4-chlorobenzoic acid [(2S,4R,5S,6R)-4,5-diacetoxy-6-(acetoxymethyl)tetrahydropyran-2-yl] ester Formula: C19H21ClO9 MolecularWeight: 428.81764

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC1C(C(CC(O1)OC(=O)C2=CC=C(C=C2)Cl)OC(=O)C)OC(=O)C

Isomeric SMILES

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

InChI

InChI=1S/C19H21ClO9/c1-10(21)25-9-16-18(27-12(3)23)15(26-11(2)22)8-17(28-16)29-19(24)13-4-6-14(20)7-5-13/h4-7,15-18H,8-9H2,1-3H3/t15-,16-,17+,18+/m1/s1