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

Systemtic Name: 1-oxidanyl-4-oxidanylidene-5,5-di(propanoyl)henicosan-2-olate Openeye Name: 1-hydroxy-4-oxo-5,5-di(propanoyl)henicosan-2-olate CAS Name: 1-hydroxy-4-oxo-5,5-bis(1-oxopropyl)-2-heneicosanolate IUPAC Name: 1-hydroxy-4-oxo-5,5-di(propanoyl)henicosan-2-olate Traditional Name: 1-hydroxy-4-keto-5,5-dipropionyl-heneicosan-2-olate Formula: C27H49O5- MolecularWeight: 453.67496

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H49O5/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-20-27(24(30)5-2,25(31)6-3)26(32)21-23(29)22-28/h23,28H,4-22H2,1-3H3/q-1