[(2S,4R,5R,6R)-4,6-dimethyl-5-oxidanyl-3-oxidanylidene-7-phenylmethoxy-heptan-2-yl] benzoate

Systemtic Name: [(2S,4R,5R,6R)-4,6-dimethyl-5-oxidanyl-3-oxidanylidene-7-phenylmethoxy-heptan-2-yl] benzoate Openeye Name: [(1S,3R,4R,5R)-6-benzyloxy-4-hydroxy-1,3,5-trimethyl-2-oxo-hexyl] benzoate CAS Name: benzoic acid [(2S,4R,5R,6R)-5-hydroxy-4,6-dimethyl-3-oxo-7-phenylmethoxyheptan-2-yl] ester IUPAC Name: [(2S,4R,5R,6R)-5-hydroxy-4,6-dimethyl-3-oxo-7-phenylmethoxyheptan-2-yl] benzoate Traditional Name: benzoic acid [(1S,3R,4R,5R)-6-benzoxy-4-hydroxy-2-keto-1,3,5-trimethyl-hexyl] ester Formula: C23H28O5 MolecularWeight: 384.46542

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Descriptors Computed from Structure

Canonical SMILES:

CC(COCC1=CC=CC=C1)C(C(C)C(=O)C(C)OC(=O)C2=CC=CC=C2)O

Isomeric SMILES

C[C@H](COCC1=CC=CC=C1)[C@H]([C@@H](C)C(=O)[C@H](C)OC(=O)C2=CC=CC=C2)O

InChI

InChI=1S/C23H28O5/c1-16(14-27-15-19-10-6-4-7-11-19)21(24)17(2)22(25)18(3)28-23(26)20-12-8-5-9-13-20/h4-13,16-18,21,24H,14-15H2,1-3H3/t16-,17-,18+,21-/m1/s1