24-[(E)-octadec-9-enoyl]-23,24,25-tris(oxidanyl)heptatetracontane-22,26-dione

Systemtic Name: 24-[(E)-octadec-9-enoyl]-23,24,25-tris(oxidanyl)heptatetracontane-22,26-dione Openeye Name: 23,24,25-trihydroxy-24-[(E)-octadec-9-enoyl]heptatetracontane-22,26-dione CAS Name: 23,24,25-trihydroxy-24-[(E)-1-oxooctadec-9-enyl]heptatetracontane-22,26-dione IUPAC Name: 23,24,25-trihydroxy-24-[(E)-octadec-9-enoyl]heptatetracontane-22,26-dione Traditional Name: (E)-19,20-dihydroxy-19-(1-hydroxy-2-keto-tricosyl)dotetracont-9-ene-18,21-dione Formula: C65H124O6 MolecularWeight: 1001.67646

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCCC(=O)C(C(C(C(=O)CCCCCCCCCCCCCCCCCCCCC)O)(C(=O)CCCCCCCC=CCCCCCCCC)O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCCCC(=O)C(C(C(C(=O)CCCCCCCCCCCCCCCCCCCCC)O)(C(=O)CCCCCCC/C=C/CCCCCCCC)O)O

InChI

InChI=1S/C65H124O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-39-42-45-48-51-54-57-60(66)63(69)65(71,62(68)59-56-53-50-47-44-41-36-27-24-21-18-15-12-9-6-3)64(70)61(67)58-55-52-49-46-43-40-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h27,36,63-64,69-71H,4-26,28-35,37-59H2,1-3H3/b36-27+