butyl 3-bromanyl-2-ethynyl-5-methyl-benzoate

Systemtic Name: butyl 3-bromanyl-2-ethynyl-5-methyl-benzoate Openeye Name: butyl 3-bromo-2-ethynyl-5-methyl-benzoate CAS Name: 3-bromo-2-ethynyl-5-methylbenzoic acid butyl ester IUPAC Name: butyl 3-bromo-2-ethynyl-5-methylbenzoate Traditional Name: 3-bromo-2-ethynyl-5-methyl-benzoic acid butyl ester Formula: C14H15BrO2 MolecularWeight: 295.1717

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC(=CC(=C1C#C)Br)C

Isomeric SMILES

CCCCOC(=O)C1=CC(=CC(=C1C#C)Br)C

InChI

InChI=1S/C14H15BrO2/c1-4-6-7-17-14(16)12-8-10(3)9-13(15)11(12)5-2/h2,8-9H,4,6-7H2,1,3H3