[(2S,4R,5R)-6-methyl-5-oxidanyl-3-oxidanylidene-4-phenylmethoxy-heptan-2-yl] benzoate

Systemtic Name: [(2S,4R,5R)-6-methyl-5-oxidanyl-3-oxidanylidene-4-phenylmethoxy-heptan-2-yl] benzoate Openeye Name: [(1S,3R,4R)-3-benzyloxy-4-hydroxy-1,5-dimethyl-2-oxo-hexyl] benzoate CAS Name: benzoic acid [(2S,4R,5R)-5-hydroxy-6-methyl-3-oxo-4-phenylmethoxyheptan-2-yl] ester IUPAC Name: [(2S,4R,5R)-5-hydroxy-6-methyl-3-oxo-4-phenylmethoxyheptan-2-yl] benzoate Traditional Name: benzoic acid [(1S,3R,4R)-3-benzoxy-4-hydroxy-2-keto-1,5-dimethyl-hexyl] ester Formula: C22H26O5 MolecularWeight: 370.43884

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(C(=O)C(C)OC(=O)C1=CC=CC=C1)OCC2=CC=CC=C2)O

Isomeric SMILES

C[C@@H](C(=O)[C@@H]([C@@H](C(C)C)O)OCC1=CC=CC=C1)OC(=O)C2=CC=CC=C2

InChI

InChI=1S/C22H26O5/c1-15(2)19(23)21(26-14-17-10-6-4-7-11-17)20(24)16(3)27-22(25)18-12-8-5-9-13-18/h4-13,15-16,19,21,23H,14H2,1-3H3/t16-,19+,21+/m0/s1