18,21-bis(oxidanylidene)-19-(1-oxidanyl-2-oxidanylidene-butyl)tetracontan-19-olate

Systemtic Name: 18,21-bis(oxidanylidene)-19-(1-oxidanyl-2-oxidanylidene-butyl)tetracontan-19-olate Openeye Name: 19-(1-hydroxy-2-oxo-butyl)-18,21-dioxo-tetracontan-19-olate CAS Name: 19-(1-hydroxy-2-oxobutyl)-18,21-dioxo-19-tetracontanolate IUPAC Name: 19-(1-hydroxy-2-oxobutyl)-18,21-dioxotetracontan-19-olate Traditional Name: 19-(1-hydroxy-2-keto-butyl)-18,21-diketo-tetracontan-19-olate Formula: C44H83O5- MolecularWeight: 692.12682

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C44H83O5/c1-4-7-9-11-13-15-17-19-21-22-24-25-27-29-31-33-35-37-40(45)39-44(49,43(48)41(46)6-3)42(47)38-36-34-32-30-28-26-23-20-18-16-14-12-10-8-5-2/h43,48H,4-39H2,1-3H3/q-1