methyl 2-(3-bromanylprop-1-ynyl)-3,4,5-trimethoxy-benzoate

Systemtic Name: methyl 2-(3-bromanylprop-1-ynyl)-3,4,5-trimethoxy-benzoate Openeye Name: methyl 2-(3-bromoprop-1-ynyl)-3,4,5-trimethoxy-benzoate CAS Name: 2-(3-bromoprop-1-ynyl)-3,4,5-trimethoxybenzoic acid methyl ester IUPAC Name: methyl 2-(3-bromoprop-1-ynyl)-3,4,5-trimethoxybenzoate Traditional Name: 2-(3-bromoprop-1-ynyl)-3,4,5-trimethoxy-benzoic acid methyl ester Formula: C14H15BrO5 MolecularWeight: 343.1699

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C(=C1)C(=O)OC)C#CCBr)OC)OC

Isomeric SMILES

COC1=C(C(=C(C(=C1)C(=O)OC)C#CCBr)OC)OC

InChI

InChI=1S/C14H15BrO5/c1-17-11-8-10(14(16)20-4)9(6-5-7-15)12(18-2)13(11)19-3/h8H,7H2,1-4H3