[azanyl-[(4-nitrophenyl)methylsulfanyl]methylidene]azanium; 2-[2,4,5-tris(chloranyl)phenoxy]propanoate

Systemtic Name: [azanyl-[(4-nitrophenyl)methylsulfanyl]methylidene]azanium; 2-[2,4,5-tris(chloranyl)phenoxy]propanoate Openeye Name: [amino-[(4-nitrophenyl)methylsulfanyl]methylene]ammonium; 2-(2,4,5-trichlorophenoxy)propanoate CAS Name: [amino-[(4-nitrophenyl)methylthio]methylidene]ammonium; 2-(2,4,5-trichlorophenoxy)propanoate IUPAC Name: [amino-[(4-nitrophenyl)methylsulfanyl]methylidene]azanium; 2-(2,4,5-trichlorophenoxy)propanoate Traditional Name: [amino-[(4-nitrobenzyl)thio]methylene]ammonium; 2-(2,4,5-trichlorophenoxy)propionate Formula: C17H16Cl3N3O5S MolecularWeight: 480.75004

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)[O-])OC1=CC(=C(C=C1Cl)Cl)Cl.C1=CC(=CC=C1CSC(=[NH2+])N)[N+](=O)[O-]

Isomeric SMILES

CC(C(=O)[O-])OC1=CC(=C(C=C1Cl)Cl)Cl.C1=CC(=CC=C1CSC(=[NH2+])N)[N+](=O)[O-]

InChI

InChI=1S/C9H7Cl3O3.C8H9N3O2S/c1-4(9(13)14)15-8-3-6(11)5(10)2-7(8)12;9-8(10)14-5-6-1-3-7(4-2-6)11(12)13/h2-4H,1H3,(H,13,14);1-4H,5H2,(H3,9,10)