[(3S,4S,5R,6R)-6-(hydroxymethyl)-4,5-bis(oxidanyl)-2,3,4-tris(phenylcarbonyl)oxan-3-yl] benzoate

Systemtic Name: [(3S,4S,5R,6R)-6-(hydroxymethyl)-4,5-bis(oxidanyl)-2,3,4-tris(phenylcarbonyl)oxan-3-yl] benzoate Openeye Name: [(3S,4S,5R,6R)-2,3,4-tribenzoyl-4,5-dihydroxy-6-(hydroxymethyl)tetrahydropyran-3-yl] benzoate CAS Name: benzoic acid [(3S,4S,5R,6R)-2,3,4-tribenzoyl-4,5-dihydroxy-6-(hydroxymethyl)-3-oxanyl] ester IUPAC Name: [(3S,4S,5R,6R)-2,3,4-tribenzoyl-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl] benzoate Traditional Name: benzoic acid [(3S,4S,5R,6R)-2,3,4-tribenzoyl-4,5-dihydroxy-6-methylol-tetrahydropyran-3-yl] ester Formula: C34H28O9 MolecularWeight: 580.58072

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)C2C(C(C(C(O2)CO)O)(C(=O)C3=CC=CC=C3)O)(C(=O)C4=CC=CC=C4)OC(=O)C5=CC=CC=C5

Isomeric SMILES

C1=CC=C(C=C1)C(=O)C2[C@]([C@@]([C@@H]([C@H](O2)CO)O)(C(=O)C3=CC=CC=C3)O)(C(=O)C4=CC=CC=C4)OC(=O)C5=CC=CC=C5

InChI

InChI=1S/C34H28O9/c35-21-26-30(39)33(41,28(37)23-15-7-2-8-16-23)34(29(38)24-17-9-3-10-18-24,43-32(40)25-19-11-4-12-20-25)31(42-26)27(36)22-13-5-1-6-14-22/h1-20,26,30-31,35,39,41H,21H2/t26-,30-,31?,33+,34+/m1/s1