(2S,5S,6R)-2-tert-butyl-5-hexyl-6-(2-nitro-1-oxidanyl-tridecyl)-1,3-dioxan-4-one

Systemtic Name: (2S,5S,6R)-2-tert-butyl-5-hexyl-6-(2-nitro-1-oxidanyl-tridecyl)-1,3-dioxan-4-one Openeye Name: (2S,5S,6R)-2-tert-butyl-5-hexyl-6-(1-hydroxy-2-nitro-tridecyl)-1,3-dioxan-4-one CAS Name: (2S,5S,6R)-2-tert-butyl-5-hexyl-6-(1-hydroxy-2-nitrotridecyl)-1,3-dioxan-4-one IUPAC Name: (2S,5S,6R)-2-tert-butyl-5-hexyl-6-(1-hydroxy-2-nitrotridecyl)-1,3-dioxan-4-one Traditional Name: (2S,5S,6R)-2-tert-butyl-5-hexyl-6-(1-hydroxy-2-nitro-tridecyl)-1,3-dioxan-4-one Formula: C27H51NO6 MolecularWeight: 485.69694

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(C(C1C(C(=O)OC(O1)C(C)(C)C)CCCCCC)O)[N+](=O)[O-]

Isomeric SMILES

CCCCCCCCCCCC(C([C@H]1[C@@H](C(=O)O[C@H](O1)C(C)(C)C)CCCCCC)O)[N+](=O)[O-]

InChI

InChI=1S/C27H51NO6/c1-6-8-10-12-13-14-15-16-18-20-22(28(31)32)23(29)24-21(19-17-11-9-7-2)25(30)34-26(33-24)27(3,4)5/h21-24,26,29H,6-20H2,1-5H3/t21-,22?,23?,24+,26-/m0/s1