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

Systemtic Name: 5-oxidanyl-4,7-bis(oxidanylidene)-6-(2-oxidanylidenepropyl)octacosan-6-olate Openeye Name: 6-acetonyl-5-hydroxy-4,7-dioxo-octacosan-6-olate CAS Name: 5-hydroxy-4,7-dioxo-6-(2-oxopropyl)-6-octacosanolate IUPAC Name: 5-hydroxy-4,7-dioxo-6-(2-oxopropyl)octacosan-6-olate Traditional Name: 6-acetonyl-5-hydroxy-4,7-diketo-octacosan-6-olate Formula: C31H57O5- MolecularWeight: 509.78128

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H57O5/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-25-29(34)31(36,26-27(3)32)30(35)28(33)24-5-2/h30,35H,4-26H2,1-3H3/q-1