[(2R,3S)-3,7-dimethyl-3-oxidanyl-2-(phenylcarbonyloxy)oct-6-enyl] benzoate

Systemtic Name: [(2R,3S)-3,7-dimethyl-3-oxidanyl-2-(phenylcarbonyloxy)oct-6-enyl] benzoate Openeye Name: [(2R,3S)-2-benzoyloxy-3-hydroxy-3,7-dimethyl-oct-6-enyl] benzoate CAS Name: benzoic acid [(2R,3S)-2-benzoyloxy-3-hydroxy-3,7-dimethyloct-6-enyl] ester IUPAC Name: [(2R,3S)-2-benzoyloxy-3-hydroxy-3,7-dimethyloct-6-enyl] benzoate Traditional Name: benzoic acid [(2R,3S)-2-benzoyloxy-3-hydroxy-3,7-dimethyl-oct-6-enyl] ester Formula: C24H28O5 MolecularWeight: 396.47612

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CCCC(C)(C(COC(=O)C1=CC=CC=C1)OC(=O)C2=CC=CC=C2)O)C

Isomeric SMILES

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

InChI

InChI=1S/C24H28O5/c1-18(2)11-10-16-24(3,27)21(29-23(26)20-14-8-5-9-15-20)17-28-22(25)19-12-6-4-7-13-19/h4-9,11-15,21,27H,10,16-17H2,1-3H3/t21-,24+/m1/s1