4-oxidanyl-3,7-bis(oxidanylidene)-5-propanoyl-octacosan-5-olate

Systemtic Name: 4-oxidanyl-3,7-bis(oxidanylidene)-5-propanoyl-octacosan-5-olate Openeye Name: 4-hydroxy-3,7-dioxo-5-propanoyl-octacosan-5-olate CAS Name: 4-hydroxy-3,7-dioxo-5-(1-oxopropyl)-5-octacosanolate IUPAC Name: 4-hydroxy-3,7-dioxo-5-propanoyloctacosan-5-olate Traditional Name: 4-hydroxy-3,7-diketo-5-propionyl-octacosan-5-olate Formula: C31H57O5- MolecularWeight: 509.78128

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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