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

Systemtic Name: (E)-19,20-bis(oxidanyl)-19-(1-oxidanylheptadecyl)octatriacont-9-en-18-one Openeye Name: (E)-19,20-dihydroxy-19-(1-hydroxyheptadecyl)octatriacont-9-en-18-one CAS Name: (E)-19,20-dihydroxy-19-(1-hydroxyheptadecyl)-9-octatriaconten-18-one IUPAC Name: (E)-19,20-dihydroxy-19-(1-hydroxyheptadecyl)octatriacont-9-en-18-one Traditional Name: (E)-19,20-dihydroxy-19-(1-hydroxyheptadecyl)octatriacont-9-en-18-one Formula: C55H108O4 MolecularWeight: 833.44362

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C55H108O4/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54(58)55(59,52(56)49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3)53(57)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h26,29,52,54,56,58-59H,4-25,27-28,30-51H2,1-3H3/b29-26+