methyl (E)-octadec-9-en-12-ynoate

Systemtic Name: methyl (E)-octadec-9-en-12-ynoate Openeye Name: methyl (E)-octadec-9-en-12-ynoate CAS Name: (E)-octadec-9-en-12-ynoic acid methyl ester IUPAC Name: methyl (E)-octadec-9-en-12-ynoate Traditional Name: (E)-octadec-9-en-12-ynoic acid methyl ester Formula: C19H32O2 MolecularWeight: 292.45618

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC#CCC=CCCCCCCCC(=O)OC

Isomeric SMILES

CCCCCC#CC/C=C/CCCCCCCC(=O)OC

InChI

InChI=1S/C19H32O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21-2/h10-11H,3-6,9,12-18H2,1-2H3/b11-10+