methyl 6-bromanyl-2-ethanoyl-hex-4-ynoate

Systemtic Name: methyl 6-bromanyl-2-ethanoyl-hex-4-ynoate Openeye Name: methyl 2-acetyl-6-bromo-hex-4-ynoate CAS Name: 2-acetyl-6-bromo-4-hexynoic acid methyl ester IUPAC Name: methyl 2-acetyl-6-bromohex-4-ynoate Traditional Name: 2-acetyl-6-bromo-hex-4-ynoic acid methyl ester Formula: C9H11BrO3 MolecularWeight: 247.08584

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(CC#CCBr)C(=O)OC

Isomeric SMILES

CC(=O)C(CC#CCBr)C(=O)OC

InChI

InChI=1S/C9H11BrO3/c1-7(11)8(9(12)13-2)5-3-4-6-10/h8H,5-6H2,1-2H3