(E)-19,20-bis(oxidanyl)-19-(1-oxidanyltricosyl)octatriacont-9-ene-18,21-dione

Systemtic Name: (E)-19,20-bis(oxidanyl)-19-(1-oxidanyltricosyl)octatriacont-9-ene-18,21-dione Openeye Name: (E)-19,20-dihydroxy-19-(1-hydroxytricosyl)octatriacont-9-ene-18,21-dione CAS Name: (E)-19,20-dihydroxy-19-(1-hydroxytricosyl)-9-octatriacontene-18,21-dione IUPAC Name: (E)-19,20-dihydroxy-19-(1-hydroxytricosyl)octatriacont-9-ene-18,21-dione Traditional Name: (E)-19,20-dihydroxy-19-(1-hydroxytricosyl)octatriacont-9-ene-18,21-dione Formula: C61H118O5 MolecularWeight: 931.58662

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCCCC(C(C(C(=O)CCCCCCCCCCCCCCCCC)O)(C(=O)CCCCCCCC=CCCCCCCCC)O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCCCCC(C(C(C(=O)CCCCCCCCCCCCCCCCC)O)(C(=O)CCCCCCC/C=C/CCCCCCCC)O)O

InChI

InChI=1S/C61H118O5/c1-4-7-10-13-16-19-22-25-28-29-30-31-32-35-38-41-44-47-50-53-56-59(64)61(66,58(63)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)60(65)57(62)54-51-48-45-42-39-36-33-26-23-20-17-14-11-8-5-2/h27,34,59-60,64-66H,4-26,28-33,35-56H2,1-3H3/b34-27+