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

Systemtic Name: [(2R,3S,4R,5R)-3,5-dimethyl-4-oxidanyl-6-phenylmethoxy-hexan-2-yl] benzoate Openeye Name: [(1R,2S,3R,4R)-5-benzyloxy-3-hydroxy-1,2,4-trimethyl-pentyl] benzoate CAS Name: benzoic acid [(2R,3S,4R,5R)-4-hydroxy-3,5-dimethyl-6-phenylmethoxyhexan-2-yl] ester IUPAC Name: [(2R,3S,4R,5R)-4-hydroxy-3,5-dimethyl-6-phenylmethoxyhexan-2-yl] benzoate Traditional Name: benzoic acid [(1R,2S,3R,4R)-5-benzoxy-3-hydroxy-1,2,4-trimethyl-pentyl] ester Formula: C22H28O4 MolecularWeight: 356.45532

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28O4/c1-16(14-25-15-19-10-6-4-7-11-19)21(23)17(2)18(3)26-22(24)20-12-8-5-9-13-20/h4-13,16-18,21,23H,14-15H2,1-3H3/t16-,17-,18-,21-/m1/s1