(2S,3R,4R)-2-dodecyl-3,4-bis(oxidanyl)-5-oxidanylidene-2-phenylmethoxycarbonyl-oxolane-3-carboxylic acid

Systemtic Name: (2S,3R,4R)-2-dodecyl-3,4-bis(oxidanyl)-5-oxidanylidene-2-phenylmethoxycarbonyl-oxolane-3-carboxylic acid Openeye Name: (2S,3R,4R)-2-benzyloxycarbonyl-2-dodecyl-3,4-dihydroxy-5-oxo-tetrahydrofuran-3-carboxylic acid CAS Name: (2S,3R,4R)-2-dodecyl-3,4-dihydroxy-5-oxo-2-phenylmethoxycarbonyl-3-oxolanecarboxylic acid IUPAC Name: (2S,3R,4R)-2-dodecyl-3,4-dihydroxy-5-oxo-2-phenylmethoxycarbonyloxolane-3-carboxylic acid Traditional Name: (2S,3R,4R)-2-carbobenzoxy-3,4-dihydroxy-5-keto-2-lauryl-tetrahydrofuran-3-carboxylic acid Formula: C25H36O8 MolecularWeight: 464.54854

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC1(C(C(C(=O)O1)O)(C(=O)O)O)C(=O)OCC2=CC=CC=C2

Isomeric SMILES

CCCCCCCCCCCC[C@]1([C@]([C@H](C(=O)O1)O)(C(=O)O)O)C(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C25H36O8/c1-2-3-4-5-6-7-8-9-10-14-17-24(23(30)32-18-19-15-12-11-13-16-19)25(31,22(28)29)20(26)21(27)33-24/h11-13,15-16,20,26,31H,2-10,14,17-18H2,1H3,(H,28,29)/t20-,24+,25-/m0/s1