sodium; 2-(4-chloranyl-2-methyl-phenoxy)ethanoate; 3-(3,4-dichlorophenyl)-1,1-dimethyl-urea; 1H-1,2,4-triazol-5-amine

Systemtic Name: sodium; 2-(4-chloranyl-2-methyl-phenoxy)ethanoate; 3-(3,4-dichlorophenyl)-1,1-dimethyl-urea; 1H-1,2,4-triazol-5-amine Openeye Name: sodium; 2-(4-chloro-2-methyl-phenoxy)acetate; 3-(3,4-dichlorophenyl)-1,1-dimethyl-urea; 1H-1,2,4-triazol-5-amine CAS Name: sodium; 2-(4-chloro-2-methylphenoxy)acetate; 3-(3,4-dichlorophenyl)-1,1-dimethylurea; 1H-1,2,4-triazol-5-amine IUPAC Name: sodium; 2-(4-chloro-2-methylphenoxy)acetate; 3-(3,4-dichlorophenyl)-1,1-dimethylurea; 1H-1,2,4-triazol-5-amine Traditional Name: sodium; 2-(4-chloro-2-methyl-phenoxy)acetate; 3-(3,4-dichlorophenyl)-1,1-dimethyl-urea; 1H-1,2,4-triazol-5-ylamine Formula: C20H22Cl3N6NaO4 MolecularWeight: 539.77525

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Cl)OCC(=O)[O-].CN(C)C(=O)NC1=CC(=C(C=C1)Cl)Cl.C1=NNC(=N1)N.[Na+]

Isomeric SMILES

CC1=C(C=CC(=C1)Cl)OCC(=O)[O-].CN(C)C(=O)NC1=CC(=C(C=C1)Cl)Cl.C1=NNC(=N1)N.[Na+]

InChI

InChI=1S/C9H10Cl2N2O.C9H9ClO3.C2H4N4.Na/c1-13(2)9(14)12-6-3-4-7(10)8(11)5-6;1-6-4-7(10)2-3-8(6)13-5-9(11)12;3-2-4-1-5-6-2;/h3-5H,1-2H3,(H,12,14);2-4H,5H2,1H3,(H,11,12);1H,(H3,3,4,5,6);/q;;;+1/p-1