1-(4-bromophenyl)hept-6-en-1-yn-3-yl but-2-ynoate

Systemtic Name: 1-(4-bromophenyl)hept-6-en-1-yn-3-yl but-2-ynoate Openeye Name: 1-[2-(4-bromophenyl)ethynyl]pent-4-enyl but-2-ynoate CAS Name: 2-butynoic acid 1-(4-bromophenyl)hept-6-en-1-yn-3-yl ester IUPAC Name: 1-(4-bromophenyl)hept-6-en-1-yn-3-yl but-2-ynoate Traditional Name: but-2-ynoic acid 1-[2-(4-bromophenyl)ethynyl]pent-4-enyl ester Formula: C17H15BrO2 MolecularWeight: 331.2038

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Descriptors Computed from Structure

Canonical SMILES:

CC#CC(=O)OC(CCC=C)C#CC1=CC=C(C=C1)Br

Isomeric SMILES

CC#CC(=O)OC(CCC=C)C#CC1=CC=C(C=C1)Br

InChI

InChI=1S/C17H15BrO2/c1-3-5-7-16(20-17(19)6-4-2)13-10-14-8-11-15(18)12-9-14/h3,8-9,11-12,16H,1,5,7H2,2H3