2-[1-(4-hexyl-3-oxidanylidene-oxetan-2-yl)tridecan-2-yl]propanedioate

Systemtic Name: 2-[1-(4-hexyl-3-oxidanylidene-oxetan-2-yl)tridecan-2-yl]propanedioate Openeye Name: 2-[1-[(4-hexyl-3-oxo-oxetan-2-yl)methyl]dodecyl]propanedioate CAS Name: 2-[1-(4-hexyl-3-oxo-2-oxetanyl)tridecan-2-yl]propanedioate IUPAC Name: 2-[1-(4-hexyl-3-oxooxetan-2-yl)tridecan-2-yl]propanedioate Traditional Name: 2-[1-[(4-hexyl-3-keto-oxetan-2-yl)methyl]dodecyl]malonate Formula: C25H42O6-2 MolecularWeight: 438.59738

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(CC1C(=O)C(O1)CCCCCC)C(C(=O)[O-])C(=O)[O-]

Isomeric SMILES

CCCCCCCCCCCC(CC1C(=O)C(O1)CCCCCC)C(C(=O)[O-])C(=O)[O-]

InChI

InChI=1S/C25H44O6/c1-3-5-7-9-10-11-12-13-14-16-19(22(24(27)28)25(29)30)18-21-23(26)20(31-21)17-15-8-6-4-2/h19-22H,3-18H2,1-2H3,(H,27,28)(H,29,30)/p-2