[(2S,3S,4R)-5-acetyloxy-2,4-dimethyl-3-oxidanyl-pentyl] benzoate

Systemtic Name: [(2S,3S,4R)-5-acetyloxy-2,4-dimethyl-3-oxidanyl-pentyl] benzoate Openeye Name: [(2S,3S,4R)-5-acetoxy-3-hydroxy-2,4-dimethyl-pentyl] benzoate CAS Name: benzoic acid [(2S,3S,4R)-5-acetyloxy-3-hydroxy-2,4-dimethylpentyl] ester IUPAC Name: [(2S,3S,4R)-5-acetyloxy-3-hydroxy-2,4-dimethylpentyl] benzoate Traditional Name: benzoic acid [(2S,3S,4R)-5-acetoxy-3-hydroxy-2,4-dimethyl-pentyl] ester Formula: C16H22O5 MolecularWeight: 294.34288

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Descriptors Computed from Structure

Canonical SMILES:

CC(COC(=O)C)C(C(C)COC(=O)C1=CC=CC=C1)O

Isomeric SMILES

C[C@H](COC(=O)C)[C@@H]([C@@H](C)COC(=O)C1=CC=CC=C1)O

InChI

InChI=1S/C16H22O5/c1-11(9-20-13(3)17)15(18)12(2)10-21-16(19)14-7-5-4-6-8-14/h4-8,11-12,15,18H,9-10H2,1-3H3/t11-,12+,15+/m1/s1