trimethyl 6-bromanylhept-6-en-1-yne-1,4,4-tricarboxylate

Systemtic Name: trimethyl 6-bromanylhept-6-en-1-yne-1,4,4-tricarboxylate Openeye Name: trimethyl 6-bromohept-6-en-1-yne-1,4,4-tricarboxylate CAS Name: 6-bromohept-6-en-1-yne-1,4,4-tricarboxylic acid trimethyl ester IUPAC Name: trimethyl 6-bromohept-6-en-1-yne-1,4,4-tricarboxylate Traditional Name: 6-bromohept-6-en-1-yne-1,4,4-tricarboxylic acid trimethyl ester Formula: C13H15BrO6 MolecularWeight: 347.1586

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C#CCC(CC(=C)Br)(C(=O)OC)C(=O)OC

Isomeric SMILES

COC(=O)C#CCC(CC(=C)Br)(C(=O)OC)C(=O)OC

InChI

InChI=1S/C13H15BrO6/c1-9(14)8-13(11(16)19-3,12(17)20-4)7-5-6-10(15)18-2/h1,7-8H2,2-4H3