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

Systemtic Name: [(2S,3R,4R,5S,6S)-2-acetyloxy-3-chloranyl-6-methyl-5-phenylmethoxy-oxan-4-yl] benzoate Openeye Name: [(2S,3R,4R,5S,6S)-2-acetoxy-5-benzyloxy-3-chloro-6-methyl-tetrahydropyran-4-yl] benzoate CAS Name: benzoic acid [(2S,3R,4R,5S,6S)-2-acetyloxy-3-chloro-6-methyl-5-phenylmethoxy-4-oxanyl] ester IUPAC Name: [(2S,3R,4R,5S,6S)-2-acetyloxy-3-chloro-6-methyl-5-phenylmethoxyoxan-4-yl] benzoate Traditional Name: benzoic acid [(2S,3R,4R,5S,6S)-2-acetoxy-5-benzoxy-3-chloro-6-methyl-tetrahydropyran-4-yl] ester Formula: C22H23ClO6 MolecularWeight: 418.86742

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(C(C(C(O1)OC(=O)C)Cl)OC(=O)C2=CC=CC=C2)OCC3=CC=CC=C3

Isomeric SMILES

C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC(=O)C)Cl)OC(=O)C2=CC=CC=C2)OCC3=CC=CC=C3

InChI

InChI=1S/C22H23ClO6/c1-14-19(26-13-16-9-5-3-6-10-16)20(18(23)22(27-14)28-15(2)24)29-21(25)17-11-7-4-8-12-17/h3-12,14,18-20,22H,13H2,1-2H3/t14-,18+,19-,20-,22-/m0/s1