(4-bromanyl-3,5-dimethyl-phenyl) 3-phenylprop-2-ynoate

Systemtic Name: (4-bromanyl-3,5-dimethyl-phenyl) 3-phenylprop-2-ynoate Openeye Name: (4-bromo-3,5-dimethyl-phenyl) 3-phenylprop-2-ynoate CAS Name: 3-phenyl-2-propynoic acid (4-bromo-3,5-dimethylphenyl) ester IUPAC Name: (4-bromo-3,5-dimethylphenyl) 3-phenylprop-2-ynoate Traditional Name: 3-phenylpropiolic acid (4-bromo-3,5-dimethyl-phenyl) ester Formula: C17H13BrO2 MolecularWeight: 329.18792

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1Br)C)OC(=O)C#CC2=CC=CC=C2

Isomeric SMILES

CC1=CC(=CC(=C1Br)C)OC(=O)C#CC2=CC=CC=C2

InChI

InChI=1S/C17H13BrO2/c1-12-10-15(11-13(2)17(12)18)20-16(19)9-8-14-6-4-3-5-7-14/h3-7,10-11H,1-2H3