3-acetamido-4-benzamido-2-[1,2,3-tris(oxidanyl)propyl]-3,4-dihydro-2H-pyran-6-carboxylic acid

Systemtic Name: 3-acetamido-4-benzamido-2-[1,2,3-tris(oxidanyl)propyl]-3,4-dihydro-2H-pyran-6-carboxylic acid Openeye Name: 3-acetamido-4-benzamido-2-(1,2,3-trihydroxypropyl)-3,4-dihydro-2H-pyran-6-carboxylic acid CAS Name: 3-acetamido-4-benzamido-2-(1,2,3-trihydroxypropyl)-3,4-dihydro-2H-pyran-6-carboxylic acid IUPAC Name: 3-acetamido-4-benzamido-2-(1,2,3-trihydroxypropyl)-3,4-dihydro-2H-pyran-6-carboxylic acid Traditional Name: 3-acetamido-4-benzamido-2-(1,2,3-trihydroxypropyl)-3,4-dihydro-2H-pyran-6-carboxylic acid Formula: C18H22N2O8 MolecularWeight: 394.37588

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22N2O8/c1-9(22)19-14-11(20-17(25)10-5-3-2-4-6-10)7-13(18(26)27)28-16(14)15(24)12(23)8-21/h2-7,11-12,14-16,21,23-24H,8H2,1H3,(H,19,22)(H,20,25)(H,26,27)