6-butanoyl-7-oxidanyl-4,8-bis(oxidanylidene)pentacosan-6-olate

Systemtic Name: 6-butanoyl-7-oxidanyl-4,8-bis(oxidanylidene)pentacosan-6-olate Openeye Name: 6-butanoyl-7-hydroxy-4,8-dioxo-pentacosan-6-olate CAS Name: 7-hydroxy-4,8-dioxo-6-(1-oxobutyl)-6-pentacosanolate IUPAC Name: 6-butanoyl-7-hydroxy-4,8-dioxopentacosan-6-olate Traditional Name: 6-butyryl-7-hydroxy-4,8-diketo-pentacosan-6-olate Formula: C29H53O5- MolecularWeight: 481.72812

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H53O5/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23-26(31)28(33)29(34,27(32)22-6-3)24-25(30)21-5-2/h28,33H,4-24H2,1-3H3/q-1