3,4,5-triacetyloxy-6-[2-chloranyl-4-(hydroxymethyl)phenyl]-6-methoxy-oxane-2-carboxylic acid

Systemtic Name: 3,4,5-triacetyloxy-6-[2-chloranyl-4-(hydroxymethyl)phenyl]-6-methoxy-oxane-2-carboxylic acid Openeye Name: 3,4,5-triacetoxy-6-[2-chloro-4-(hydroxymethyl)phenyl]-6-methoxy-tetrahydropyran-2-carboxylic acid CAS Name: 3,4,5-triacetyloxy-6-[2-chloro-4-(hydroxymethyl)phenyl]-6-methoxy-2-oxanecarboxylic acid IUPAC Name: 3,4,5-triacetyloxy-6-[2-chloro-4-(hydroxymethyl)phenyl]-6-methoxyoxane-2-carboxylic acid Traditional Name: 3,4,5-triacetoxy-6-(2-chloro-4-methylol-phenyl)-6-methoxy-tetrahydropyran-2-carboxylic acid Formula: C20H23ClO11 MolecularWeight: 474.84302

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1C(C(C(OC1C(=O)O)(C2=C(C=C(C=C2)CO)Cl)OC)OC(=O)C)OC(=O)C

Isomeric SMILES

CC(=O)OC1C(C(C(OC1C(=O)O)(C2=C(C=C(C=C2)CO)Cl)OC)OC(=O)C)OC(=O)C

InChI

InChI=1S/C20H23ClO11/c1-9(23)29-15-16(30-10(2)24)18(31-11(3)25)20(28-4,32-17(15)19(26)27)13-6-5-12(8-22)7-14(13)21/h5-7,15-18,22H,8H2,1-4H3,(H,26,27)