3,3-diethanoyl-1-oxidanyl-henicosan-2-olate

Systemtic Name: 3,3-diethanoyl-1-oxidanyl-henicosan-2-olate Openeye Name: 3,3-diacetyl-1-hydroxy-henicosan-2-olate CAS Name: 3,3-diacetyl-1-hydroxy-2-heneicosanolate IUPAC Name: 3,3-diacetyl-1-hydroxyhenicosan-2-olate Traditional Name: 3,3-diacetyl-1-hydroxy-heneicosan-2-olate Formula: C25H47O4- MolecularWeight: 411.63828

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCC(C(CO)[O-])(C(=O)C)C(=O)C

Isomeric SMILES

CCCCCCCCCCCCCCCCCCC(C(CO)[O-])(C(=O)C)C(=O)C

InChI

InChI=1S/C25H47O4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-25(22(2)27,23(3)28)24(29)21-26/h24,26H,4-21H2,1-3H3/q-1