20-oxidanyl-18,21-bis(oxidanylidene)-19-(2-oxidanylideneheptadecyl)octatriacontan-19-olate

Systemtic Name: 20-oxidanyl-18,21-bis(oxidanylidene)-19-(2-oxidanylideneheptadecyl)octatriacontan-19-olate Openeye Name: 20-hydroxy-18,21-dioxo-19-(2-oxoheptadecyl)octatriacontan-19-olate CAS Name: 20-hydroxy-18,21-dioxo-19-(2-oxoheptadecyl)-19-octatriacontanolate IUPAC Name: 20-hydroxy-18,21-dioxo-19-(2-oxoheptadecyl)octatriacontan-19-olate Traditional Name: 20-hydroxy-18,21-diketo-19-(2-ketoheptadecyl)octatriacontan-19-olate Formula: C55H105O5- MolecularWeight: 846.4192

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)C(C(CC(=O)CCCCCCCCCCCCCCC)(C(=O)CCCCCCCCCCCCCCCCC)[O-])O

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)C(C(CC(=O)CCCCCCCCCCCCCCC)(C(=O)CCCCCCCCCCCCCCCCC)[O-])O

InChI

InChI=1S/C55H105O5/c1-4-7-10-13-16-19-22-25-27-30-33-36-39-42-45-48-52(57)54(59)55(60,50-51(56)47-44-41-38-35-32-29-24-21-18-15-12-9-6-3)53(58)49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h54,59H,4-50H2,1-3H3/q-1