sodium; 2,6-dinitro-N,N-dipropyl-4-(trifluoromethyl)aniline; hydrogen sulfate; hydrate

Systemtic Name: sodium; 2,6-dinitro-N,N-dipropyl-4-(trifluoromethyl)aniline; hydrogen sulfate; hydrate Openeye Name: sodium; 2,6-dinitro-N,N-dipropyl-4-(trifluoromethyl)aniline; hydrogen sulfate; hydrate CAS Name: sodium; 2,6-dinitro-N,N-dipropyl-4-(trifluoromethyl)aniline; hydrogen sulfate; hydrate IUPAC Name: sodium; 2,6-dinitro-N,N-dipropyl-4-(trifluoromethyl)aniline; hydrogen sulfate; hydrate Traditional Name: sodium [2,6-dinitro-4-(trifluoromethyl)phenyl]-dipropyl-amine bisulfate hydrate Formula: C13H19F3N3NaO9S MolecularWeight: 473.35464

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CCC)C1=C(C=C(C=C1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-].O.OS(=O)(=O)[O-].[Na+]

Isomeric SMILES

CCCN(CCC)C1=C(C=C(C=C1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-].O.OS(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C13H16F3N3O4.Na.H2O4S.H2O/c1-3-5-17(6-4-2)12-10(18(20)21)7-9(13(14,15)16)8-11(12)19(22)23;;1-5(2,3)4;/h7-8H,3-6H2,1-2H3;;(H2,1,2,3,4);1H2/q;+1;;/p-1