(11S)-11-[(2S,3S)-3-isocyano-3-methyl-oxiran-2-yl]-11-oxidanyl-undecanoic acid

Systemtic Name: (11S)-11-[(2S,3S)-3-isocyano-3-methyl-oxiran-2-yl]-11-oxidanyl-undecanoic acid Openeye Name: (11S)-11-hydroxy-11-[(2S,3S)-3-isocyano-3-methyl-oxiran-2-yl]undecanoic acid CAS Name: (11S)-11-hydroxy-11-[(2S,3S)-3-isocyano-3-methyl-2-oxiranyl]undecanoic acid IUPAC Name: (11S)-11-hydroxy-11-[(2S,3S)-3-isocyano-3-methyloxiran-2-yl]undecanoic acid Traditional Name: (11S)-11-hydroxy-11-[(2S,3S)-3-isocyano-3-methyl-oxiran-2-yl]undecanoic acid Formula: C15H25NO4 MolecularWeight: 283.3633

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(O1)C(CCCCCCCCCC(=O)O)O)[N+]#[C-]

Isomeric SMILES

C[C@]1([C@@H](O1)[C@H](CCCCCCCCCC(=O)O)O)[N+]#[C-]

InChI

InChI=1S/C15H25NO4/c1-15(16-2)14(20-15)12(17)10-8-6-4-3-5-7-9-11-13(18)19/h12,14,17H,3-11H2,1H3,(H,18,19)/t12-,14-,15-/m0/s1