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

Systemtic Name: 20-oxidanyl-18,21-bis(oxidanylidene)-19-(2-oxidanylidenebutyl)octatriacontan-19-olate Openeye Name: 20-hydroxy-18,21-dioxo-19-(2-oxobutyl)octatriacontan-19-olate CAS Name: 20-hydroxy-18,21-dioxo-19-(2-oxobutyl)-19-octatriacontanolate IUPAC Name: 20-hydroxy-18,21-dioxo-19-(2-oxobutyl)octatriacontan-19-olate Traditional Name: 20-hydroxy-18,21-diketo-19-(2-ketobutyl)octatriacontan-19-olate Formula: C42H79O5- MolecularWeight: 664.07366

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C42H79O5/c1-4-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-39(44)41(46)42(47,37-38(43)6-3)40(45)36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-5-2/h41,46H,4-37H2,1-3H3/q-1