2-(4-chloranyl-2-fluoranyl-5-prop-2-ynoxy-phenyl)-1-oxidanidyl-4,5,6,7-tetrahydrobenzotriazol-1-ium

Systemtic Name: 2-(4-chloranyl-2-fluoranyl-5-prop-2-ynoxy-phenyl)-1-oxidanidyl-4,5,6,7-tetrahydrobenzotriazol-1-ium Openeye Name: 2-(4-chloro-2-fluoro-5-prop-2-ynoxy-phenyl)-1-oxido-4,5,6,7-tetrahydrobenzotriazol-1-ium CAS Name: 2-(4-chloro-2-fluoro-5-prop-2-ynoxyphenyl)-1-oxido-4,5,6,7-tetrahydrobenzotriazol-1-ium IUPAC Name: 2-(4-chloro-2-fluoro-5-prop-2-ynoxyphenyl)-1-oxido-4,5,6,7-tetrahydrobenzotriazol-1-ium Traditional Name: 2-(4-chloro-2-fluoro-5-propargyloxy-phenyl)-1-oxido-4,5,6,7-tetrahydrobenzotriazol-1-ium Formula: C15H13ClFN3O2 MolecularWeight: 321.734023

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Descriptors Computed from Structure

Canonical SMILES:

C#CCOC1=C(C=C(C(=C1)N2N=C3CCCCC3=[N+]2[O-])F)Cl

Isomeric SMILES

C#CCOC1=C(C=C(C(=C1)N2N=C3CCCCC3=[N+]2[O-])F)Cl

InChI

InChI=1S/C15H13ClFN3O2/c1-2-7-22-15-9-14(11(17)8-10(15)16)19-18-12-5-3-4-6-13(12)20(19)21/h1,8-9H,3-7H2