(E)-docos-13-enoic acid; propane-1,2,3-triol

Systemtic Name: (E)-docos-13-enoic acid; propane-1,2,3-triol Openeye Name: (E)-docos-13-enoic acid; glycerol CAS Name: (E)-13-docosenoic acid; propane-1,2,3-triol IUPAC Name: (E)-docos-13-enoic acid; propane-1,2,3-triol Traditional Name: (E)-docos-13-enoic acid; glycerol Formula: C25H50O5 MolecularWeight: 430.6615

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCCCCCC(=O)O.C(C(CO)O)O

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCCCCCC(=O)O.C(C(CO)O)O

InChI

InChI=1S/C22H42O2.C3H8O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24;4-1-3(6)2-5/h9-10H,2-8,11-21H2,1H3,(H,23,24);3-6H,1-2H2/b10-9+;