AQUASHADE

Molecular Formula: C₅₃H₅₁N₈Na₃O₁₈S₅

InChI: InChI=1/C37H36N2O9S3.C16H12N4O9S2.2H3N.3Na/c1-3-38(25-27-9-7-11-33(23-27)49(40,41)42)31-19-15-29(16-20-31)37(35-13-5-6-14-36(35)51(46,47)48)30-17-21-32(22-18-30)39(4-2)26-28-10-8-12-34(24-28)50(43,44)45;21-15-13(18-17-9-1-5-11(6-2-9)30(24,25)26)14(16(22)23)19-20(15)10-3-7-12(8-4-10)31(27,28)29;;;;;/h5-24H,3-4,25-26H2,1-2H3,(H2-,40,41,42,43,44,45,46,47,48);1-8,13H,(H,22,23)(H,24,25,26)(H,27,28,29);2*1H3;;;/q;;;;3*+1/p-3/fC37H36N2O9S3.C16H9N4O9S2.2H3N.3Na/h40,46H;;;;;;/q;-3;;;3m

InChIKey: InChIKey=CNXKZKXMIIEMNW-RVQZIBNICR
SMILES: CCN(CC1=CC(=CC=C1)S(=O)(=O)O)C2=CC=C(C=C2)C(=C3C=CC(=[N+](CC)CC4=CC(=CC=C4)S(=O)(=O)[O-])C=C3)C5=CC=CC=C5S(=O)(=O)O.C1=CC(=CC=C1N=NC2C(=NN(C2=O)C3=CC=C(C=C3)S(=O)(=O)[O-])C(=O)[O-])S(=O)(=O)[O-].N.N.[Na+].[Na+].[Na+]

Names:
    AQUASHADE
    Benzenemethanaminium, N-ethyl-N-(4-((4-(ethyl((3-sulfophenyl)methylamino)phenyl)(2-sulfophenyl)methylene)-2,5-cyclohexadien-1-ylidene)-3-sulfo-, hydroxide, inner salt, diammonium salt, mixt. 4,5-dihydro-5-oxo-1-(4-sulfophenyl)-4-((4-sulfophenyl)azo)-1H-pyrazole-3-carboxylic acid trisodium salt
    EPA Pesticide Chemical Code 110303
    trisodium; azane; 3-[[ethyl-[4-[[4-[ethyl-[(3-sulfophenyl)methyl]amino]phenyl]-(2-sulfophenyl)methylidene]-1-cyclohexa-2,5-dienylidene]azaniumyl]methyl]benzenesulfonate; 5-oxo-1-(4-sulfonatophenyl)-4-(4-sulfonatophenyl)diazenyl-4H-pyrazole-3-carboxylate
    92170-50-8

Registries:
    PubChem CID 62301
    PubChem ID 199674