5-acetamido-2-(4-methanoylphenoxy)-4-oxidanyl-6-[1,2,3-tris(oxidanyl)propyl]oxane-2-carboxylic acid

Systemtic Name: 5-acetamido-2-(4-methanoylphenoxy)-4-oxidanyl-6-[1,2,3-tris(oxidanyl)propyl]oxane-2-carboxylic acid Openeye Name: 5-acetamido-2-(4-formylphenoxy)-4-hydroxy-6-(1,2,3-trihydroxypropyl)tetrahydropyran-2-carboxylic acid CAS Name: 5-acetamido-2-(4-formylphenoxy)-4-hydroxy-6-(1,2,3-trihydroxypropyl)-2-oxanecarboxylic acid IUPAC Name: 5-acetamido-2-(4-formylphenoxy)-4-hydroxy-6-(1,2,3-trihydroxypropyl)oxane-2-carboxylic acid Traditional Name: 5-acetamido-2-(4-formylphenoxy)-4-hydroxy-6-(1,2,3-trihydroxypropyl)tetrahydropyran-2-carboxylic acid Formula: C18H23NO10 MolecularWeight: 413.37592

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1C(CC(OC1C(C(CO)O)O)(C(=O)O)OC2=CC=C(C=C2)C=O)O

Isomeric SMILES

CC(=O)NC1C(CC(OC1C(C(CO)O)O)(C(=O)O)OC2=CC=C(C=C2)C=O)O

InChI

InChI=1S/C18H23NO10/c1-9(22)19-14-12(23)6-18(17(26)27,29-16(14)15(25)13(24)8-21)28-11-4-2-10(7-20)3-5-11/h2-5,7,12-16,21,23-25H,6,8H2,1H3,(H,19,22)(H,26,27)