(3R,4S,5S)-4-acetamido-5-oxidanyl-3-[(1S,2R)-1,2,3-tris(oxidanyl)propyl]cyclohexene-1-carboxylic acid

Systemtic Name: (3R,4S,5S)-4-acetamido-5-oxidanyl-3-[(1S,2R)-1,2,3-tris(oxidanyl)propyl]cyclohexene-1-carboxylic acid Openeye Name: (3R,4S,5S)-4-acetamido-5-hydroxy-3-[(1S,2R)-1,2,3-trihydroxypropyl]cyclohexene-1-carboxylic acid CAS Name: (3R,4S,5S)-4-acetamido-5-hydroxy-3-[(1S,2R)-1,2,3-trihydroxypropyl]-1-cyclohexenecarboxylic acid IUPAC Name: (3R,4S,5S)-4-acetamido-5-hydroxy-3-[(1S,2R)-1,2,3-trihydroxypropyl]cyclohexene-1-carboxylic acid Traditional Name: (3R,4S,5S)-4-acetamido-5-hydroxy-3-[(1S,2R)-1,2,3-trihydroxypropyl]cyclohexene-1-carboxylic acid Formula: C12H19NO7 MolecularWeight: 289.28176

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1C(CC(=CC1C(C(CO)O)O)C(=O)O)O

Isomeric SMILES

CC(=O)N[C@@H]1[C@H](CC(=C[C@H]1[C@@H]([C@@H](CO)O)O)C(=O)O)O

InChI

InChI=1S/C12H19NO7/c1-5(15)13-10-7(11(18)9(17)4-14)2-6(12(19)20)3-8(10)16/h2,7-11,14,16-18H,3-4H2,1H3,(H,13,15)(H,19,20)/t7-,8+,9-,10+,11+/m1/s1