(Z,5S)-5-azanyl-2-diazonio-3-oxidanylidene-1-prop-2-enoxy-undec-1-en-1-olate; 2,2,2-tris(fluoranyl)ethanoic acid

Systemtic Name: (Z,5S)-5-azanyl-2-diazonio-3-oxidanylidene-1-prop-2-enoxy-undec-1-en-1-olate; 2,2,2-tris(fluoranyl)ethanoic acid Openeye Name: (Z,5S)-1-allyloxy-5-amino-2-diazonio-3-oxo-undec-1-en-1-olate; 2,2,2-trifluoroacetic acid CAS Name: (Z,5S)-5-amino-2-diazonio-3-oxo-1-prop-2-enoxy-1-undecen-1-olate; 2,2,2-trifluoroacetic acid IUPAC Name: (Z,5S)-5-amino-2-diazonio-3-oxo-1-prop-2-enoxyundec-1-en-1-olate; 2,2,2-trifluoroacetic acid Traditional Name: (Z,5S)-1-allyloxy-5-amino-2-diazonio-3-keto-undec-1-en-1-olate; 2,2,2-trifluoroacetic acid Formula: C16H24F3N3O5 MolecularWeight: 395.37407

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(CC(=O)C(=C([O-])OCC=C)[N+]#N)N.C(=O)(C(F)(F)F)O

Isomeric SMILES

CCCCCC[C@@H](CC(=O)/C(=C(\[O-])/OCC=C)/[N+]#N)N.C(=O)(C(F)(F)F)O

InChI

InChI=1S/C14H23N3O3.C2HF3O2/c1-3-5-6-7-8-11(15)10-12(18)13(17-16)14(19)20-9-4-2;3-2(4,5)1(6)7/h4,11H,2-3,5-10,15H2,1H3;(H,6,7)/t11-;/m0./s1