methyl 6-bromanylicos-7-ynoate

Systemtic Name: methyl 6-bromanylicos-7-ynoate Openeye Name: methyl 6-bromoicos-7-ynoate CAS Name: 6-bromo-7-eicosynoic acid methyl ester IUPAC Name: methyl 6-bromoicos-7-ynoate Traditional Name: 6-bromoeicos-7-ynoic acid methyl ester Formula: C21H37BrO2 MolecularWeight: 401.42128

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC#CC(CCCCC(=O)OC)Br

Isomeric SMILES

CCCCCCCCCCCCC#CC(CCCCC(=O)OC)Br

InChI

InChI=1S/C21H37BrO2/c1-3-4-5-6-7-8-9-10-11-12-13-14-17-20(22)18-15-16-19-21(23)24-2/h20H,3-13,15-16,18-19H2,1-2H3