5,8-bis(oxidanylidene)-6-(1-oxidanyl-2-oxidanylidene-butyl)nonacosan-6-olate

Systemtic Name: 5,8-bis(oxidanylidene)-6-(1-oxidanyl-2-oxidanylidene-butyl)nonacosan-6-olate Openeye Name: 6-(1-hydroxy-2-oxo-butyl)-5,8-dioxo-nonacosan-6-olate CAS Name: 6-(1-hydroxy-2-oxobutyl)-5,8-dioxo-6-nonacosanolate IUPAC Name: 6-(1-hydroxy-2-oxobutyl)-5,8-dioxononacosan-6-olate Traditional Name: 6-(1-hydroxy-2-keto-butyl)-5,8-diketo-nonacosan-6-olate Formula: C33H61O5- MolecularWeight: 537.83444

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C33H61O5/c1-4-7-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-29(34)28-33(38,31(36)27-8-5-2)32(37)30(35)6-3/h32,37H,4-28H2,1-3H3/q-1