(E)-19,20-bis(oxidanyl)-19-(1-oxidanylnonadecyl)octatriacont-9-en-18-one

Systemtic Name: (E)-19,20-bis(oxidanyl)-19-(1-oxidanylnonadecyl)octatriacont-9-en-18-one Openeye Name: (E)-19,20-dihydroxy-19-(1-hydroxynonadecyl)octatriacont-9-en-18-one CAS Name: (E)-19,20-dihydroxy-19-(1-hydroxynonadecyl)-9-octatriaconten-18-one IUPAC Name: (E)-19,20-dihydroxy-19-(1-hydroxynonadecyl)octatriacont-9-en-18-one Traditional Name: (E)-19,20-dihydroxy-19-(1-hydroxynonadecyl)octatriacont-9-en-18-one Formula: C57H112O4 MolecularWeight: 861.49678

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCC(C(C(CCCCCCCCCCCCCCCCCC)O)(C(=O)CCCCCCCC=CCCCCCCCC)O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCCC(C(C(CCCCCCCCCCCCCCCCCC)O)(C(=O)CCCCCCC/C=C/CCCCCCCC)O)O

InChI

InChI=1S/C57H112O4/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55(59)57(61,54(58)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)56(60)53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h27,30,55-56,59-61H,4-26,28-29,31-53H2,1-3H3/b30-27+