[4-[(1S,2R,4R)-2,4-dimethyl-1-oxidanyl-3-oxidanylidene-5-phenylmethoxy-pentyl]phenyl] benzoate

Systemtic Name: [4-[(1S,2R,4R)-2,4-dimethyl-1-oxidanyl-3-oxidanylidene-5-phenylmethoxy-pentyl]phenyl] benzoate Openeye Name: [4-[(1S,2R,4R)-5-benzyloxy-1-hydroxy-2,4-dimethyl-3-oxo-pentyl]phenyl] benzoate CAS Name: benzoic acid [4-[(1S,2R,4R)-1-hydroxy-2,4-dimethyl-3-oxo-5-phenylmethoxypentyl]phenyl] ester IUPAC Name: [4-[(1S,2R,4R)-1-hydroxy-2,4-dimethyl-3-oxo-5-phenylmethoxypentyl]phenyl] benzoate Traditional Name: benzoic acid [4-[(1S,2R,4R)-5-benzoxy-1-hydroxy-3-keto-2,4-dimethyl-pentyl]phenyl] ester Formula: C27H28O5 MolecularWeight: 432.50822

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Descriptors Computed from Structure

Canonical SMILES:

CC(COCC1=CC=CC=C1)C(=O)C(C)C(C2=CC=C(C=C2)OC(=O)C3=CC=CC=C3)O

Isomeric SMILES

C[C@H](COCC1=CC=CC=C1)C(=O)[C@H](C)[C@@H](C2=CC=C(C=C2)OC(=O)C3=CC=CC=C3)O

InChI

InChI=1S/C27H28O5/c1-19(17-31-18-21-9-5-3-6-10-21)25(28)20(2)26(29)22-13-15-24(16-14-22)32-27(30)23-11-7-4-8-12-23/h3-16,19-20,26,29H,17-18H2,1-2H3/t19-,20+,26+/m1/s1