[(E,3R,5S)-8-methoxy-3-methyl-5-oxidanyl-8-oxidanylidene-oct-6-enyl] 2,4,6-trimethylbenzoate

Systemtic Name: [(E,3R,5S)-8-methoxy-3-methyl-5-oxidanyl-8-oxidanylidene-oct-6-enyl] 2,4,6-trimethylbenzoate Openeye Name: [(E,3R,5S)-5-hydroxy-8-methoxy-3-methyl-8-oxo-oct-6-enyl] 2,4,6-trimethylbenzoate CAS Name: 2,4,6-trimethylbenzoic acid [(E,3R,5S)-5-hydroxy-8-methoxy-3-methyl-8-oxooct-6-enyl] ester IUPAC Name: [(E,3R,5S)-5-hydroxy-8-methoxy-3-methyl-8-oxooct-6-enyl] 2,4,6-trimethylbenzoate Traditional Name: 2,4,6-trimethylbenzoic acid [(E,3R,5S)-5-hydroxy-8-keto-8-methoxy-3-methyl-oct-6-enyl] ester Formula: C20H28O5 MolecularWeight: 348.43332

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)C(=O)OCCC(C)CC(C=CC(=O)OC)O)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)C(=O)OCC[C@@H](C)C[C@@H](/C=C/C(=O)OC)O)C

InChI

InChI=1S/C20H28O5/c1-13(12-17(21)6-7-18(22)24-5)8-9-25-20(23)19-15(3)10-14(2)11-16(19)4/h6-7,10-11,13,17,21H,8-9,12H2,1-5H3/b7-6+/t13-,17-/m1/s1