methyl 2-oxidanyl-4-[(3S)-3-(trifluoromethyl)-1,2-diazirin-1-ium-3-yl]benzoate

Systemtic Name: methyl 2-oxidanyl-4-[(3S)-3-(trifluoromethyl)-1,2-diazirin-1-ium-3-yl]benzoate Openeye Name: methyl 2-hydroxy-4-[(3S)-3-(trifluoromethyl)diazirin-1-ium-3-yl]benzoate CAS Name: 2-hydroxy-4-[(3S)-3-(trifluoromethyl)-3-diazirin-1-iumyl]benzoic acid methyl ester IUPAC Name: methyl 2-hydroxy-4-[(3S)-3-(trifluoromethyl)diazirin-1-ium-3-yl]benzoate Traditional Name: 2-hydroxy-4-[(3S)-3-(trifluoromethyl)diazirin-1-ium-3-yl]benzoic acid methyl ester Formula: C10H8F3N2O3+ MolecularWeight: 261.17733

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=C(C=C1)C2([NH+]=N2)C(F)(F)F)O

Isomeric SMILES

COC(=O)C1=C(C=C(C=C1)[C@]2([NH+]=N2)C(F)(F)F)O

InChI

InChI=1S/C10H7F3N2O3/c1-18-8(17)6-3-2-5(4-7(6)16)9(14-15-9)10(11,12)13/h2-4,16H,1H3/p+1