6-oxidanyl-4,7-bis(oxidanylidene)-5-(2-oxidanylidenepropyl)docosan-5-olate

Systemtic Name: 6-oxidanyl-4,7-bis(oxidanylidene)-5-(2-oxidanylidenepropyl)docosan-5-olate Openeye Name: 5-acetonyl-6-hydroxy-4,7-dioxo-docosan-5-olate CAS Name: 6-hydroxy-4,7-dioxo-5-(2-oxopropyl)-5-docosanolate IUPAC Name: 6-hydroxy-4,7-dioxo-5-(2-oxopropyl)docosan-5-olate Traditional Name: 5-acetonyl-6-hydroxy-4,7-diketo-docosan-5-olate Formula: C25H45O5- MolecularWeight: 425.6218

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)C(C(CC(=O)C)(C(=O)CCC)[O-])O

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)C(C(CC(=O)C)(C(=O)CCC)[O-])O

InChI

InChI=1S/C25H45O5/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-19-22(27)24(29)25(30,20-21(3)26)23(28)18-5-2/h24,29H,4-20H2,1-3H3/q-1