azanium octyl (E)-6-bromanylhex-2-en-4-ynoate

Systemtic Name: azanium octyl (E)-6-bromanylhex-2-en-4-ynoate Openeye Name: ammonium octyl (E)-6-bromohex-2-en-4-ynoate CAS Name: ammonium (E)-6-bromohex-2-en-4-ynoic acid octyl ester IUPAC Name: azanium octyl (E)-6-bromohex-2-en-4-ynoate Traditional Name: ammonium (E)-6-bromohex-2-en-4-ynoic acid octyl ester Formula: C14H25BrNO2+ MolecularWeight: 319.2578

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC(=O)C=CC#CCBr.[NH4+]

Isomeric SMILES

CCCCCCCCOC(=O)/C=C/C#CCBr.[NH4+]

InChI

InChI=1S/C14H21BrO2.H3N/c1-2-3-4-5-6-10-13-17-14(16)11-8-7-9-12-15;/h8,11H,2-6,10,12-13H2,1H3;1H3/p+1/b11-8+;