sodium (E)-6-bromanylhex-2-en-4-ynoate

Systemtic Name: sodium (E)-6-bromanylhex-2-en-4-ynoate Openeye Name: sodium (E)-6-bromohex-2-en-4-ynoate CAS Name: sodium (E)-6-bromohex-2-en-4-ynoate IUPAC Name: sodium (E)-6-bromohex-2-en-4-ynoate Traditional Name: sodium (E)-6-bromohex-2-en-4-ynoate Formula: C6H4BrNaO2 MolecularWeight: 210.98853

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Descriptors Computed from Structure

Canonical SMILES:

C(C#CC=CC(=O)[O-])Br.[Na+]

Isomeric SMILES

C(C#C/C=C/C(=O)[O-])Br.[Na+]

InChI

InChI=1S/C6H5BrO2.Na/c7-5-3-1-2-4-6(8)9;/h2,4H,5H2,(H,8,9);/q;+1/p-1/b4-2+;