methyl 12-oxidanylideneheptadec-13-ynoate

Systemtic Name: methyl 12-oxidanylideneheptadec-13-ynoate Openeye Name: methyl 12-oxoheptadec-13-ynoate CAS Name: 12-oxo-13-heptadecynoic acid methyl ester IUPAC Name: methyl 12-oxoheptadec-13-ynoate Traditional Name: 12-ketoheptadec-13-ynoic acid methyl ester Formula: C18H30O3 MolecularWeight: 294.429

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Descriptors Computed from Structure

Canonical SMILES:

CCCC#CC(=O)CCCCCCCCCCC(=O)OC

Isomeric SMILES

CCCC#CC(=O)CCCCCCCCCCC(=O)OC

InChI

InChI=1S/C18H30O3/c1-3-4-11-14-17(19)15-12-9-7-5-6-8-10-13-16-18(20)21-2/h3-10,12-13,15-16H2,1-2H3