[(2R,3S,4S,5S,6R)-5-acetyloxy-2-(hydroxymethyl)-6-methoxy-3-oxidanyl-oxan-4-yl] 4-methylbenzoate

Systemtic Name: [(2R,3S,4S,5S,6R)-5-acetyloxy-2-(hydroxymethyl)-6-methoxy-3-oxidanyl-oxan-4-yl] 4-methylbenzoate Openeye Name: [(2R,3S,4S,5S,6R)-5-acetoxy-3-hydroxy-2-(hydroxymethyl)-6-methoxy-tetrahydropyran-4-yl] 4-methylbenzoate CAS Name: 4-methylbenzoic acid [(2R,3S,4S,5S,6R)-5-acetyloxy-3-hydroxy-2-(hydroxymethyl)-6-methoxy-4-oxanyl] ester IUPAC Name: [(2R,3S,4S,5S,6R)-5-acetyloxy-3-hydroxy-2-(hydroxymethyl)-6-methoxyoxan-4-yl] 4-methylbenzoate Traditional Name: 4-methylbenzoic acid [(2R,3S,4S,5S,6R)-3-acetoxy-5-hydroxy-2-methoxy-6-methylol-tetrahydropyran-4-yl] ester Formula: C17H22O8 MolecularWeight: 354.35178

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)OC2C(C(OC(C2OC(=O)C)OC)CO)O

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)O[C@H]2[C@H]([C@H](O[C@H]([C@H]2OC(=O)C)OC)CO)O

InChI

InChI=1S/C17H22O8/c1-9-4-6-11(7-5-9)16(21)25-14-13(20)12(8-18)24-17(22-3)15(14)23-10(2)19/h4-7,12-15,17-18,20H,8H2,1-3H3/t12-,13+,14+,15+,17-/m1/s1