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

Systemtic Name: 19-oxidanyl-18,21-bis(oxidanylidene)-20-(2-oxidanylidenebutyl)tetracontan-20-olate Openeye Name: 19-hydroxy-18,21-dioxo-20-(2-oxobutyl)tetracontan-20-olate CAS Name: 19-hydroxy-18,21-dioxo-20-(2-oxobutyl)-20-tetracontanolate IUPAC Name: 19-hydroxy-18,21-dioxo-20-(2-oxobutyl)tetracontan-20-olate Traditional Name: 19-hydroxy-18,21-diketo-20-(2-ketobutyl)tetracontan-20-olate Formula: C44H83O5- MolecularWeight: 692.12682

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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