methyl (E,13S)-13-oxidanyloctadec-11-en-9-ynoate

Systemtic Name: methyl (E,13S)-13-oxidanyloctadec-11-en-9-ynoate Openeye Name: methyl (E,13S)-13-hydroxyoctadec-11-en-9-ynoate CAS Name: (E,13S)-13-hydroxyoctadec-11-en-9-ynoic acid methyl ester IUPAC Name: methyl (E,13S)-13-hydroxyoctadec-11-en-9-ynoate Traditional Name: (E,13S)-13-hydroxyoctadec-11-en-9-ynoic acid methyl ester Formula: C19H32O3 MolecularWeight: 308.45558

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C=CC#CCCCCCCCC(=O)OC)O

Isomeric SMILES

CCCCC[C@@H](/C=C/C#CCCCCCCCC(=O)OC)O

InChI

InChI=1S/C19H32O3/c1-3-4-12-15-18(20)16-13-10-8-6-5-7-9-11-14-17-19(21)22-2/h13,16,18,20H,3-7,9,11-12,14-15,17H2,1-2H3/b16-13+/t18-/m0/s1