6-oxidanyl-5,9-bis(oxidanylidene)-7-propanoyl-octacosan-7-olate

Systemtic Name: 6-oxidanyl-5,9-bis(oxidanylidene)-7-propanoyl-octacosan-7-olate Openeye Name: 6-hydroxy-5,9-dioxo-7-propanoyl-octacosan-7-olate CAS Name: 6-hydroxy-5,9-dioxo-7-(1-oxopropyl)-7-octacosanolate IUPAC Name: 6-hydroxy-5,9-dioxo-7-propanoyloctacosan-7-olate Traditional Name: 6-hydroxy-5,9-diketo-7-propionyl-octacosan-7-olate Formula: C31H57O5- MolecularWeight: 509.78128

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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