16,19-bis(oxidanylidene)-17-(1-oxidanyl-2-oxidanylidene-butyl)octatriacontan-17-olate

Systemtic Name: 16,19-bis(oxidanylidene)-17-(1-oxidanyl-2-oxidanylidene-butyl)octatriacontan-17-olate Openeye Name: 17-(1-hydroxy-2-oxo-butyl)-16,19-dioxo-octatriacontan-17-olate CAS Name: 17-(1-hydroxy-2-oxobutyl)-16,19-dioxo-17-octatriacontanolate IUPAC Name: 17-(1-hydroxy-2-oxobutyl)-16,19-dioxooctatriacontan-17-olate Traditional Name: 17-(1-hydroxy-2-keto-butyl)-16,19-diketo-octatriacontan-17-olate Formula: C42H79O5- MolecularWeight: 664.07366

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCC(=O)CC(C(C(=O)CC)O)(C(=O)CCCCCCCCCCCCCCC)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCC(=O)CC(C(C(=O)CC)O)(C(=O)CCCCCCCCCCCCCCC)[O-]

InChI

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