sodium; 2-(4-chloranyl-2-methyl-phenoxy)ethanoate; 2-(4-chloranyl-2-methyl-phenoxy)propanoic acid

Systemtic Name: sodium; 2-(4-chloranyl-2-methyl-phenoxy)ethanoate; 2-(4-chloranyl-2-methyl-phenoxy)propanoic acid Openeye Name: sodium; 2-(4-chloro-2-methyl-phenoxy)acetate; 2-(4-chloro-2-methyl-phenoxy)propanoic acid CAS Name: sodium; 2-(4-chloro-2-methylphenoxy)acetate; 2-(4-chloro-2-methylphenoxy)propanoic acid IUPAC Name: sodium; 2-(4-chloro-2-methylphenoxy)acetate; 2-(4-chloro-2-methylphenoxy)propanoic acid Traditional Name: sodium; 2-(4-chloro-2-methyl-phenoxy)acetate; 2-(4-chloro-2-methyl-phenoxy)propionic acid Formula: C19H19Cl2NaO6 MolecularWeight: 437.24633

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Cl)OCC(=O)[O-].CC1=C(C=CC(=C1)Cl)OC(C)C(=O)O.[Na+]

Isomeric SMILES

CC1=C(C=CC(=C1)Cl)OCC(=O)[O-].CC1=C(C=CC(=C1)Cl)OC(C)C(=O)O.[Na+]

InChI

InChI=1S/C10H11ClO3.C9H9ClO3.Na/c1-6-5-8(11)3-4-9(6)14-7(2)10(12)13;1-6-4-7(10)2-3-8(6)13-5-9(11)12;/h3-5,7H,1-2H3,(H,12,13);2-4H,5H2,1H3,(H,11,12);/q;;+1/p-1