methyl 7-ethenyl-8-oxidanyl-octadeca-5,9,12-triynoate

Systemtic Name: methyl 7-ethenyl-8-oxidanyl-octadeca-5,9,12-triynoate Openeye Name: methyl 8-hydroxy-7-vinyl-octadeca-5,9,12-triynoate CAS Name: 7-ethenyl-8-hydroxyoctadeca-5,9,12-triynoic acid methyl ester IUPAC Name: methyl 7-ethenyl-8-hydroxyoctadeca-5,9,12-triynoate Traditional Name: 8-hydroxy-7-vinyl-octadeca-5,9,12-triynoic acid methyl ester Formula: C21H28O3 MolecularWeight: 328.44522

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC#CCC#CC(C(C=C)C#CCCCC(=O)OC)O

Isomeric SMILES

CCCCCC#CCC#CC(C(C=C)C#CCCCC(=O)OC)O

InChI

InChI=1S/C21H28O3/c1-4-6-7-8-9-10-11-14-17-20(22)19(5-2)16-13-12-15-18-21(23)24-3/h5,19-20,22H,2,4,6-8,11-12,15,18H2,1,3H3