ethyl (2E,4E,8E)-9-bromanyl-2-methyl-nona-2,4,8-trien-6-ynoate

Systemtic Name: ethyl (2E,4E,8E)-9-bromanyl-2-methyl-nona-2,4,8-trien-6-ynoate Openeye Name: ethyl (2E,4E,8E)-9-bromo-2-methyl-nona-2,4,8-trien-6-ynoate CAS Name: (2E,4E,8E)-9-bromo-2-methylnona-2,4,8-trien-6-ynoic acid ethyl ester IUPAC Name: ethyl (2E,4E,8E)-9-bromo-2-methylnona-2,4,8-trien-6-ynoate Traditional Name: (2E,4E,8E)-9-bromo-2-methyl-nona-2,4,8-trien-6-ynoic acid ethyl ester Formula: C12H13BrO2 MolecularWeight: 269.13442

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=CC=CC#CC=CBr)C

Isomeric SMILES

CCOC(=O)/C(=C/C=C/C#C/C=C/Br)/C

InChI

InChI=1S/C12H13BrO2/c1-3-15-12(14)11(2)9-7-5-4-6-8-10-13/h5,7-10H,3H2,1-2H3/b7-5+,10-8+,11-9+