methyl (4E,8E)-13-bromanyl-2-ethanoyl-5,9,13-trimethyl-12-oxidanyl-tetradeca-4,8-dienoate

Systemtic Name: methyl (4E,8E)-13-bromanyl-2-ethanoyl-5,9,13-trimethyl-12-oxidanyl-tetradeca-4,8-dienoate Openeye Name: methyl (4E,8E)-2-acetyl-13-bromo-12-hydroxy-5,9,13-trimethyl-tetradeca-4,8-dienoate CAS Name: (4E,8E)-2-acetyl-13-bromo-12-hydroxy-5,9,13-trimethyltetradeca-4,8-dienoic acid methyl ester IUPAC Name: methyl (4E,8E)-2-acetyl-13-bromo-12-hydroxy-5,9,13-trimethyltetradeca-4,8-dienoate Traditional Name: (4E,8E)-2-acetyl-13-bromo-12-hydroxy-5,9,13-trimethyl-tetradeca-4,8-dienoic acid methyl ester Formula: C20H33BrO4 MolecularWeight: 417.37762

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CCCC(=CCC(C(=O)C)C(=O)OC)C)CCC(C(C)(C)Br)O

Isomeric SMILES

C/C(=C\CC/C(=C/CC(C(=O)C)C(=O)OC)/C)/CCC(C(C)(C)Br)O

InChI

InChI=1S/C20H33BrO4/c1-14(10-12-17(16(3)22)19(24)25-6)8-7-9-15(2)11-13-18(23)20(4,5)21/h9-10,17-18,23H,7-8,11-13H2,1-6H3/b14-10+,15-9+