ethyl (2R,3S)-2,3-bis(oxidanyl)icos-4-ynoate

Systemtic Name: ethyl (2R,3S)-2,3-bis(oxidanyl)icos-4-ynoate Openeye Name: ethyl (2R,3S)-2,3-dihydroxyicos-4-ynoate CAS Name: (2R,3S)-2,3-dihydroxy-4-eicosynoic acid ethyl ester IUPAC Name: ethyl (2R,3S)-2,3-dihydroxyicos-4-ynoate Traditional Name: (2R,3S)-2,3-dihydroxyeicos-4-ynoic acid ethyl ester Formula: C22H40O4 MolecularWeight: 368.5506

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC#CC(C(C(=O)OCC)O)O

Isomeric SMILES

CCCCCCCCCCCCCCCC#C[C@@H]([C@H](C(=O)OCC)O)O

InChI

InChI=1S/C22H40O4/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(23)21(24)22(25)26-4-2/h20-21,23-24H,3-17H2,1-2H3/t20-,21+/m0/s1