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

Systemtic Name: 6-butanoyl-7-oxidanyl-4,8-bis(oxidanylidene)tricosan-6-olate Openeye Name: 6-butanoyl-7-hydroxy-4,8-dioxo-tricosan-6-olate CAS Name: 7-hydroxy-4,8-dioxo-6-(1-oxobutyl)-6-tricosanolate IUPAC Name: 6-butanoyl-7-hydroxy-4,8-dioxotricosan-6-olate Traditional Name: 6-butyryl-7-hydroxy-4,8-diketo-tricosan-6-olate Formula: C27H49O5- MolecularWeight: 453.67496

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H49O5/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-21-24(29)26(31)27(32,25(30)20-6-3)22-23(28)19-5-2/h26,31H,4-22H2,1-3H3/q-1