(phenylmethyl) (1S,3R,4S)-1,3,4-tris(oxidanyl)-5-oxidanylidene-cyclohexane-1-carboxylate

Systemtic Name: (phenylmethyl) (1S,3R,4S)-1,3,4-tris(oxidanyl)-5-oxidanylidene-cyclohexane-1-carboxylate Openeye Name: benzyl (1S,3R,4S)-1,3,4-trihydroxy-5-oxo-cyclohexanecarboxylate CAS Name: (1S,3R,4S)-1,3,4-trihydroxy-5-oxo-1-cyclohexanecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl (1S,3R,4S)-1,3,4-trihydroxy-5-oxocyclohexane-1-carboxylate Traditional Name: (1S,3R,4S)-1,3,4-trihydroxy-5-keto-cyclohexanecarboxylic acid benzyl ester Formula: C14H16O6 MolecularWeight: 280.27324

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(C(=O)CC1(C(=O)OCC2=CC=CC=C2)O)O)O

Isomeric SMILES

C1[C@H]([C@@H](C(=O)C[C@@]1(C(=O)OCC2=CC=CC=C2)O)O)O

InChI

InChI=1S/C14H16O6/c15-10-6-14(19,7-11(16)12(10)17)13(18)20-8-9-4-2-1-3-5-9/h1-5,10,12,15,17,19H,6-8H2/t10-,12+,14+/m1/s1