5-butanoyl-4-oxidanyl-3,7-bis(oxidanylidene)docosan-5-olate

Systemtic Name: 5-butanoyl-4-oxidanyl-3,7-bis(oxidanylidene)docosan-5-olate Openeye Name: 5-butanoyl-4-hydroxy-3,7-dioxo-docosan-5-olate CAS Name: 4-hydroxy-3,7-dioxo-5-(1-oxobutyl)-5-docosanolate IUPAC Name: 5-butanoyl-4-hydroxy-3,7-dioxodocosan-5-olate Traditional Name: 5-butyryl-4-hydroxy-3,7-diketo-docosan-5-olate Formula: C26H47O5- MolecularWeight: 439.64838

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H47O5/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-20-22(27)21-26(31,24(29)19-5-2)25(30)23(28)6-3/h25,30H,4-21H2,1-3H3/q-1