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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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