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

Systemtic Name: 3-oxidanyl-2,5-bis(oxidanylidene)-4-(2-oxidanylidenepropyl)docosan-4-olate Openeye Name: 4-acetonyl-3-hydroxy-2,5-dioxo-docosan-4-olate CAS Name: 3-hydroxy-2,5-dioxo-4-(2-oxopropyl)-4-docosanolate IUPAC Name: 3-hydroxy-2,5-dioxo-4-(2-oxopropyl)docosan-4-olate Traditional Name: 4-acetonyl-3-hydroxy-2,5-diketo-docosan-4-olate Formula: C25H45O5- MolecularWeight: 425.6218

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)C(CC(=O)C)(C(C(=O)C)O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)C(CC(=O)C)(C(C(=O)C)O)[O-]

InChI

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