methyl 6-oxidanylideneicos-7-ynoate

Systemtic Name: methyl 6-oxidanylideneicos-7-ynoate Openeye Name: methyl 6-oxoicos-7-ynoate CAS Name: 6-oxo-7-eicosynoic acid methyl ester IUPAC Name: methyl 6-oxoicos-7-ynoate Traditional Name: 6-ketoeicos-7-ynoic acid methyl ester Formula: C21H36O3 MolecularWeight: 336.50874

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H36O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-17-20(22)18-15-16-19-21(23)24-2/h3-13,15-16,18-19H2,1-2H3