5,5-di(butanoyl)-1-oxidanyl-4-oxidanylidene-henicosan-2-olate

Systemtic Name: 5,5-di(butanoyl)-1-oxidanyl-4-oxidanylidene-henicosan-2-olate Openeye Name: 5,5-di(butanoyl)-1-hydroxy-4-oxo-henicosan-2-olate CAS Name: 1-hydroxy-4-oxo-5,5-bis(1-oxobutyl)-2-heneicosanolate IUPAC Name: 5,5-di(butanoyl)-1-hydroxy-4-oxohenicosan-2-olate Traditional Name: 5,5-dibutyryl-1-hydroxy-4-keto-heneicosan-2-olate Formula: C29H53O5- MolecularWeight: 481.72812

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCC(C(=O)CCC)(C(=O)CCC)C(=O)CC(CO)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCCC(C(=O)CCC)(C(=O)CCC)C(=O)CC(CO)[O-]

InChI

InChI=1S/C29H53O5/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-22-29(26(32)20-5-2,27(33)21-6-3)28(34)23-25(31)24-30/h25,30H,4-24H2,1-3H3/q-1