(E)-2-[2,3-bis(oxidanyl)propanoyl]docos-13-enoic acid

Systemtic Name: (E)-2-[2,3-bis(oxidanyl)propanoyl]docos-13-enoic acid Openeye Name: (E)-2-(2,3-dihydroxypropanoyl)docos-13-enoic acid CAS Name: (E)-2-(2,3-dihydroxy-1-oxopropyl)-13-docosenoic acid IUPAC Name: (E)-2-(2,3-dihydroxypropanoyl)docos-13-enoic acid Traditional Name: (E)-2-glyceroyldocos-13-enoic acid Formula: C25H46O5 MolecularWeight: 426.62974

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCCCCC(C(=O)C(CO)O)C(=O)O

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCCCCC(C(=O)C(CO)O)C(=O)O

InChI

InChI=1S/C25H46O5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22(25(29)30)24(28)23(27)21-26/h9-10,22-23,26-27H,2-8,11-21H2,1H3,(H,29,30)/b10-9+