[(Z,11S,16R)-11,16-bis(oxidanyl)octadec-9-en-12,14-diynyl] ethanoate

Systemtic Name: [(Z,11S,16R)-11,16-bis(oxidanyl)octadec-9-en-12,14-diynyl] ethanoate Openeye Name: [(Z,11S,16R)-11,16-dihydroxyoctadec-9-en-12,14-diynyl] acetate CAS Name: acetic acid [(Z,11S,16R)-11,16-dihydroxyoctadec-9-en-12,14-diynyl] ester IUPAC Name: [(Z,11S,16R)-11,16-dihydroxyoctadec-9-en-12,14-diynyl] acetate Traditional Name: acetic acid [(Z,11S,16R)-11,16-dihydroxyoctadec-9-en-12,14-diynyl] ester Formula: C20H30O4 MolecularWeight: 334.4498

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C#CC#CC(C=CCCCCCCCCOC(=O)C)O)O

Isomeric SMILES

CC[C@H](C#CC#C[C@H](/C=C\CCCCCCCCOC(=O)C)O)O

InChI

InChI=1S/C20H30O4/c1-3-19(22)14-11-12-16-20(23)15-10-8-6-4-5-7-9-13-17-24-18(2)21/h10,15,19-20,22-23H,3-9,13,17H2,1-2H3/b15-10-/t19-,20+/m1/s1