4-(Bis(2-chloroethyl)amino)butyric acid picrylsulfonate

Molecular Formula: C₁₄H₁₈Cl₂N₄O₁₁S

InChI: InChI=1/C8H15Cl2NO2.C6H3N3O9S/c9-3-6-11(7-4-10)5-1-2-8(12)13;10-7(11)3-1-4(8(12)13)6(19(16,17)18)5(2-3)9(14)15/h1-7H2,(H,12,13);1-2H,(H,16,17,18)/fC8H16Cl2NO2.C6H2N3O9S/h11-12H;/q+1;-1

InChIKey: InChIKey=RTUWHVZDCCZSAZ-PFZCWZDCCO
SMILES: C1=C(C=C(C(=C1[N+](=O)[O-])S(=O)(=O)[O-])[N+](=O)[O-])[N+](=O)[O-].C(CC(=O)O)C[NH+](CCCl)CCCl

Names:
    BUTYRIC ACID, 4-(BIS(2-CHLOROETHYL)AMINO)-, 2,4,6-TRINITROBENZENESULFONATE
    100700-27-4
    3-carboxypropyl-bis(2-chloroethyl)azanium; 2,4,6-trinitrobenzenesulfonate
    4-(Bis(2-chloroethyl)amino)butyric acid picrylsulfonate
    4-(Bis(2-chloroethyl)amino)butyric acid 2,4,6-trinitrobenzenesulfonate

Registries:
    PubChem CID 57973
    PubChem ID 194918