sodium 7-(1-methylindol-3-yl)-4-nitro-1-oxidanidyl-6-(trifluoromethylsulfonyl)-7H-2,1,3-benzoxadiazol-1-ium-6-ide

Systemtic Name: sodium 7-(1-methylindol-3-yl)-4-nitro-1-oxidanidyl-6-(trifluoromethylsulfonyl)-7H-2,1,3-benzoxadiazol-1-ium-6-ide Openeye Name: sodium 7-(1-methylindol-3-yl)-4-nitro-1-oxido-6-(trifluoromethylsulfonyl)-7H-2,1,3-benzoxadiazol-1-ium-6-ide CAS Name: sodium 7-(1-methyl-3-indolyl)-4-nitro-1-oxido-6-(trifluoromethylsulfonyl)-7H-2,1,3-benzoxadiazol-1-ium-6-ide IUPAC Name: sodium 7-(1-methylindol-3-yl)-4-nitro-1-oxido-6-(trifluoromethylsulfonyl)-7H-2,1,3-benzoxadiazol-1-ium-6-ide Traditional Name: sodium 4-(1-methylindol-3-yl)-7-nitro-3-oxido-5-triflyl-4H-benzofurazan-3-ium-5-ide Formula: C16H10F3N4NaO6S MolecularWeight: 466.32378

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C2=CC=CC=C21)C3[C-](C=C(C4=NO[N+](=C34)[O-])[N+](=O)[O-])S(=O)(=O)C(F)(F)F.[Na+]

Isomeric SMILES

CN1C=C(C2=CC=CC=C21)C3[C-](C=C(C4=NO[N+](=C34)[O-])[N+](=O)[O-])S(=O)(=O)C(F)(F)F.[Na+]

InChI

InChI=1S/C16H10F3N4O6S.Na/c1-21-7-9(8-4-2-3-5-10(8)21)13-12(30(27,28)16(17,18)19)6-11(22(24)25)14-15(13)23(26)29-20-14;/h2-7,13H,1H3;/q-1;+1