6-butanoyl-5-oxidanyl-4,8-bis(oxidanylidene)heptacosan-6-olate

Systemtic Name: 6-butanoyl-5-oxidanyl-4,8-bis(oxidanylidene)heptacosan-6-olate Openeye Name: 6-butanoyl-5-hydroxy-4,8-dioxo-heptacosan-6-olate CAS Name: 5-hydroxy-4,8-dioxo-6-(1-oxobutyl)-6-heptacosanolate IUPAC Name: 6-butanoyl-5-hydroxy-4,8-dioxoheptacosan-6-olate Traditional Name: 6-butyryl-5-hydroxy-4,8-diketo-heptacosan-6-olate Formula: C31H57O5- MolecularWeight: 509.78128

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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