sodium 2-(4-chloranyl-2-methyl-phenoxy)butanoate

Systemtic Name: sodium 2-(4-chloranyl-2-methyl-phenoxy)butanoate Openeye Name: sodium 2-(4-chloro-2-methyl-phenoxy)butanoate CAS Name: sodium 2-(4-chloro-2-methylphenoxy)butanoate IUPAC Name: sodium 2-(4-chloro-2-methylphenoxy)butanoate Traditional Name: sodium 2-(4-chloro-2-methyl-phenoxy)butyrate Formula: C11H12ClNaO3 MolecularWeight: 250.65395

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)[O-])OC1=C(C=C(C=C1)Cl)C.[Na+]

Isomeric SMILES

CCC(C(=O)[O-])OC1=C(C=C(C=C1)Cl)C.[Na+]

InChI

InChI=1S/C11H13ClO3.Na/c1-3-9(11(13)14)15-10-5-4-8(12)6-7(10)2;/h4-6,9H,3H2,1-2H3,(H,13,14);/q;+1/p-1