VUAgT 210

Molecular Formula: C18H14Cl2NNaO6S


InChI: InChI=1/C9H6ClNO3S.C9H9ClO3.Na/c10-5-2-1-3-6-8(5)11(4-7(12)13)9(14)15-6;1-6-4-7(10)2-3-8(6)13-5-9(11)12;/h1-3H,4H2,(H,12,13);2-4H,5H2,1H3,(H,11,12);/q;;+1/p-1/fC9H6ClNO3S.C9H8ClO3.Na/h12H;;/q;-1;m

InChIKey: InChIKey=CQZWVRGYQSKFCX-VGQRWRABCE
SMILES: CC1=C(C=CC(=C1)Cl)OCC(=O)[O-].C1=CC2=C(C(=C1)Cl)N(C(=O)S2)CC(=O)O.[Na+]

Names:
    sodium; 2-(4-chloro-2-methyl-phenoxy)acetate; 2-(4-chloro-2-oxo-benzothiazol-3-yl)acetic acid
    VUAgT 210
    65280-19-5

Registries:
    PubChem CID 47605
    PubChem ID 186856