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

Systemtic Name: 3-acetamido-4-[(4-chlorophenyl)methoxy]-2-[1,2,3-tris(oxidanyl)propyl]-3,4-dihydro-2H-pyran-6-carboxylic acid Openeye Name: 3-acetamido-4-[(4-chlorophenyl)methoxy]-2-(1,2,3-trihydroxypropyl)-3,4-dihydro-2H-pyran-6-carboxylic acid CAS Name: 3-acetamido-4-[(4-chlorophenyl)methoxy]-2-(1,2,3-trihydroxypropyl)-3,4-dihydro-2H-pyran-6-carboxylic acid IUPAC Name: 3-acetamido-4-[(4-chlorophenyl)methoxy]-2-(1,2,3-trihydroxypropyl)-3,4-dihydro-2H-pyran-6-carboxylic acid Traditional Name: 3-acetamido-4-(4-chlorobenzyl)oxy-2-(1,2,3-trihydroxypropyl)-3,4-dihydro-2H-pyran-6-carboxylic acid Formula: C18H22ClNO8 MolecularWeight: 415.82218

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1C(C=C(OC1C(C(CO)O)O)C(=O)O)OCC2=CC=C(C=C2)Cl

Isomeric SMILES

CC(=O)NC1C(C=C(OC1C(C(CO)O)O)C(=O)O)OCC2=CC=C(C=C2)Cl

InChI

InChI=1S/C18H22ClNO8/c1-9(22)20-15-13(27-8-10-2-4-11(19)5-3-10)6-14(18(25)26)28-17(15)16(24)12(23)7-21/h2-6,12-13,15-17,21,23-24H,7-8H2,1H3,(H,20,22)(H,25,26)