[(2S,4R,5R)-4-methyl-5-oxidanyl-3-oxidanylidene-7-phenylmethoxy-heptan-2-yl] benzoate

Systemtic Name: [(2S,4R,5R)-4-methyl-5-oxidanyl-3-oxidanylidene-7-phenylmethoxy-heptan-2-yl] benzoate Openeye Name: [(1S,3R,4R)-6-benzyloxy-4-hydroxy-1,3-dimethyl-2-oxo-hexyl] benzoate CAS Name: benzoic acid [(2S,4R,5R)-5-hydroxy-4-methyl-3-oxo-7-phenylmethoxyheptan-2-yl] ester IUPAC Name: [(2S,4R,5R)-5-hydroxy-4-methyl-3-oxo-7-phenylmethoxyheptan-2-yl] benzoate Traditional Name: benzoic acid [(1S,3R,4R)-6-benzoxy-4-hydroxy-2-keto-1,3-dimethyl-hexyl] ester Formula: C22H26O5 MolecularWeight: 370.43884

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(CCOCC1=CC=CC=C1)O)C(=O)C(C)OC(=O)C2=CC=CC=C2

Isomeric SMILES

C[C@H]([C@@H](CCOCC1=CC=CC=C1)O)C(=O)[C@H](C)OC(=O)C2=CC=CC=C2

InChI

InChI=1S/C22H26O5/c1-16(20(23)13-14-26-15-18-9-5-3-6-10-18)21(24)17(2)27-22(25)19-11-7-4-8-12-19/h3-12,16-17,20,23H,13-15H2,1-2H3/t16-,17+,20-/m1/s1