methyl 2-(4-bromophenyl)carbonylhept-6-ynoate

Systemtic Name: methyl 2-(4-bromophenyl)carbonylhept-6-ynoate Openeye Name: methyl 2-(4-bromobenzoyl)hept-6-ynoate CAS Name: 2-[(4-bromophenyl)-oxomethyl]-6-heptynoic acid methyl ester IUPAC Name: methyl 2-(4-bromobenzoyl)hept-6-ynoate Traditional Name: 2-(4-bromobenzoyl)hept-6-ynoic acid methyl ester Formula: C15H15BrO3 MolecularWeight: 323.1818

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CCCC#C)C(=O)C1=CC=C(C=C1)Br

Isomeric SMILES

COC(=O)C(CCCC#C)C(=O)C1=CC=C(C=C1)Br

InChI

InChI=1S/C15H15BrO3/c1-3-4-5-6-13(15(18)19-2)14(17)11-7-9-12(16)10-8-11/h1,7-10,13H,4-6H2,2H3