16,19-bis(oxidanylidene)-18-(1-oxidanyl-2-oxidanylidene-butyl)octatriacontan-18-olate

Systemtic Name: 16,19-bis(oxidanylidene)-18-(1-oxidanyl-2-oxidanylidene-butyl)octatriacontan-18-olate Openeye Name: 18-(1-hydroxy-2-oxo-butyl)-16,19-dioxo-octatriacontan-18-olate CAS Name: 18-(1-hydroxy-2-oxobutyl)-16,19-dioxo-18-octatriacontanolate IUPAC Name: 18-(1-hydroxy-2-oxobutyl)-16,19-dioxooctatriacontan-18-olate Traditional Name: 18-(1-hydroxy-2-keto-butyl)-16,19-diketo-octatriacontan-18-olate Formula: C42H79O5- MolecularWeight: 664.07366

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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