(2S,3S,4S,5R,6R)-3,4,5-tris(oxidanyl)-6-(2-phenylpropoxy)oxane-2-carboxylic acid

Systemtic Name: (2S,3S,4S,5R,6R)-3,4,5-tris(oxidanyl)-6-(2-phenylpropoxy)oxane-2-carboxylic acid Openeye Name: (2S,3S,4S,5R,6R)-3,4,5-trihydroxy-6-(2-phenylpropoxy)tetrahydropyran-2-carboxylic acid CAS Name: (2S,3S,4S,5R,6R)-3,4,5-trihydroxy-6-(2-phenylpropoxy)-2-oxanecarboxylic acid IUPAC Name: (2S,3S,4S,5R,6R)-3,4,5-trihydroxy-6-(2-phenylpropoxy)oxane-2-carboxylic acid Traditional Name: (2S,3S,4S,5R,6R)-3,4,5-trihydroxy-6-(2-phenylpropoxy)tetrahydropyran-2-carboxylic acid Formula: C15H20O7 MolecularWeight: 312.3151

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Descriptors Computed from Structure

Canonical SMILES:

CC(COC1C(C(C(C(O1)C(=O)O)O)O)O)C2=CC=CC=C2

Isomeric SMILES

CC(CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)C(=O)O)O)O)O)C2=CC=CC=C2

InChI

InChI=1S/C15H20O7/c1-8(9-5-3-2-4-6-9)7-21-15-12(18)10(16)11(17)13(22-15)14(19)20/h2-6,8,10-13,15-18H,7H2,1H3,(H,19,20)/t8?,10-,11-,12+,13-,15+/m0/s1