sodium 4-(4-chloranyl-2-methyl-phenoxy)butanoic acid

Systemtic Name: sodium 4-(4-chloranyl-2-methyl-phenoxy)butanoic acid Openeye Name: sodium 4-(4-chloro-2-methyl-phenoxy)butanoic acid CAS Name: sodium 4-(4-chloro-2-methylphenoxy)butanoic acid IUPAC Name: sodium 4-(4-chloro-2-methylphenoxy)butanoic acid Traditional Name: sodium 4-(4-chloro-2-methyl-phenoxy)butyric acid Formula: C11H13ClNaO3+ MolecularWeight: 251.66189

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Cl)OCCCC(=O)O.[Na+]

Isomeric SMILES

CC1=C(C=CC(=C1)Cl)OCCCC(=O)O.[Na+]

InChI

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