(2S,3S,4S,5R,6S)-6-[4-(2-imidazol-1-ylethoxy)phenyl]carbonyloxy-3,4,5-tris(oxidanyl)oxane-2-carboxylic acid

Systemtic Name: (2S,3S,4S,5R,6S)-6-[4-(2-imidazol-1-ylethoxy)phenyl]carbonyloxy-3,4,5-tris(oxidanyl)oxane-2-carboxylic acid Openeye Name: (2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[4-(2-imidazol-1-ylethoxy)benzoyl]oxy-tetrahydropyran-2-carboxylic acid CAS Name: (2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[[4-[2-(1-imidazolyl)ethoxy]phenyl]-oxomethoxy]-2-oxanecarboxylic acid IUPAC Name: (2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[4-(2-imidazol-1-ylethoxy)benzoyl]oxyoxane-2-carboxylic acid Traditional Name: (2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[4-(2-imidazol-1-ylethoxy)benzoyl]oxy-tetrahydropyran-2-carboxylic acid Formula: C18H20N2O9 MolecularWeight: 408.3594

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)OC2C(C(C(C(O2)C(=O)O)O)O)O)OCCN3C=CN=C3

Isomeric SMILES

C1=CC(=CC=C1C(=O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)O)O)OCCN3C=CN=C3

InChI

InChI=1S/C18H20N2O9/c21-12-13(22)15(16(24)25)28-18(14(12)23)29-17(26)10-1-3-11(4-2-10)27-8-7-20-6-5-19-9-20/h1-6,9,12-15,18,21-23H,7-8H2,(H,24,25)/t12-,13-,14+,15-,18-/m0/s1