(5S,8R)-5,8-bis(oxidanyl)dodec-6-ynoic acid

Systemtic Name: (5S,8R)-5,8-bis(oxidanyl)dodec-6-ynoic acid Openeye Name: (5S,8R)-5,8-dihydroxydodec-6-ynoic acid CAS Name: (5S,8R)-5,8-dihydroxy-6-dodecynoic acid IUPAC Name: (5S,8R)-5,8-dihydroxydodec-6-ynoic acid Traditional Name: (5S,8R)-5,8-dihydroxydodec-6-ynoic acid Formula: C12H20O4 MolecularWeight: 228.2848

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C#CC(CCCC(=O)O)O)O

Isomeric SMILES

CCCC[C@H](C#C[C@H](CCCC(=O)O)O)O

InChI

InChI=1S/C12H20O4/c1-2-3-5-10(13)8-9-11(14)6-4-7-12(15)16/h10-11,13-14H,2-7H2,1H3,(H,15,16)/t10-,11+/m1/s1