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

Systemtic Name: 16,19-bis(oxidanylidene)-17-(1-oxidanyl-2-oxidanylidene-butyl)tetracontan-17-olate Openeye Name: 17-(1-hydroxy-2-oxo-butyl)-16,19-dioxo-tetracontan-17-olate CAS Name: 17-(1-hydroxy-2-oxobutyl)-16,19-dioxo-17-tetracontanolate IUPAC Name: 17-(1-hydroxy-2-oxobutyl)-16,19-dioxotetracontan-17-olate Traditional Name: 17-(1-hydroxy-2-keto-butyl)-16,19-diketo-tetracontan-17-olate Formula: C44H83O5- MolecularWeight: 692.12682

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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