[2-[1,4-bis(oxidanyl)-1,4-bis(oxidanylidene)butan-2-yl]-4-[2-chloranyl-4-(trifluoromethyl)phenoxy]phenyl]-diazanyl-oxidanylidene-azanium

Systemtic Name: [2-[1,4-bis(oxidanyl)-1,4-bis(oxidanylidene)butan-2-yl]-4-[2-chloranyl-4-(trifluoromethyl)phenoxy]phenyl]-diazanyl-oxidanylidene-azanium Openeye Name: [2-(1-carboxy-3-hydroxy-3-oxo-propyl)-4-[2-chloro-4-(trifluoromethyl)phenoxy]phenyl]-hydrazino-oxo-ammonium CAS Name: [4-[2-chloro-4-(trifluoromethyl)phenoxy]-2-(1,4-dihydroxy-1,4-dioxobutan-2-yl)phenyl]-hydrazinyl-oxoammonium IUPAC Name: [4-[2-chloro-4-(trifluoromethyl)phenoxy]-2-(1,4-dihydroxy-1,4-dioxobutan-2-yl)phenyl]-hydrazinyl-oxoazanium Traditional Name: [2-(1-carboxy-3-hydroxy-3-keto-propyl)-4-[2-chloro-4-(trifluoromethyl)phenoxy]phenyl]-hydrazino-keto-ammonium Formula: C17H14ClF3N3O6+ MolecularWeight: 448.75777

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C(F)(F)F)Cl)OC2=CC(=C(C=C2)[N+](=O)NN)C(CC(=O)O)C(=O)O

Isomeric SMILES

C1=CC(=C(C=C1C(F)(F)F)Cl)OC2=CC(=C(C=C2)[N+](=O)NN)C(CC(=O)O)C(=O)O

InChI

InChI=1S/C17H13ClF3N3O6/c18-12-5-8(17(19,20)21)1-4-14(12)30-9-2-3-13(24(29)23-22)10(6-9)11(16(27)28)7-15(25)26/h1-6,11H,7,22H2,(H2-,23,25,26,27,28,29)/p+1