(4-hexadecanoyloxy-2-oxidanyl-butyl) (3E,7E)-octadeca-3,7-dienoate

Systemtic Name: (4-hexadecanoyloxy-2-oxidanyl-butyl) (3E,7E)-octadeca-3,7-dienoate Openeye Name: (4-hexadecanoyloxy-2-hydroxy-butyl) (3E,7E)-octadeca-3,7-dienoate CAS Name: (3E,7E)-octadeca-3,7-dienoic acid [2-hydroxy-4-(1-oxohexadecoxy)butyl] ester IUPAC Name: (4-hexadecanoyloxy-2-hydroxybutyl) (3E,7E)-octadeca-3,7-dienoate Traditional Name: (3E,7E)-octadeca-3,7-dienoic acid (4-hexadecanoyloxy-2-hydroxy-butyl) ester Formula: C38H70O5 MolecularWeight: 606.9594

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)OCCC(COC(=O)CC=CCCC=CCCCCCCCCCC)O

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)OCCC(COC(=O)C/C=C/CC/C=C/CCCCCCCCCC)O

InChI

InChI=1S/C38H70O5/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-38(41)43-35-36(39)33-34-42-37(40)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h20,22,28,30,36,39H,3-19,21,23-27,29,31-35H2,1-2H3/b22-20+,30-28+