methyl (E)-heptadec-2-en-12-ynoate

Systemtic Name: methyl (E)-heptadec-2-en-12-ynoate Openeye Name: methyl (E)-heptadec-2-en-12-ynoate CAS Name: (E)-heptadec-2-en-12-ynoic acid methyl ester IUPAC Name: methyl (E)-heptadec-2-en-12-ynoate Traditional Name: (E)-heptadec-2-en-12-ynoic acid methyl ester Formula: C18H30O2 MolecularWeight: 278.4296

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC#CCCCCCCCCC=CC(=O)OC

Isomeric SMILES

CCCCC#CCCCCCCCC/C=C/C(=O)OC

InChI

InChI=1S/C18H30O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20-2/h16-17H,3-5,8-15H2,1-2H3/b17-16+