sodium 2-[4-[2-chloranyl-4-(trifluoromethyl)phenyl]sulfinylphenoxy]propanoate

Systemtic Name: sodium 2-[4-[2-chloranyl-4-(trifluoromethyl)phenyl]sulfinylphenoxy]propanoate Openeye Name: sodium 2-[4-[2-chloro-4-(trifluoromethyl)phenyl]sulfinylphenoxy]propanoate CAS Name: sodium 2-[4-[2-chloro-4-(trifluoromethyl)phenyl]sulfinylphenoxy]propanoate IUPAC Name: sodium 2-[4-[2-chloro-4-(trifluoromethyl)phenyl]sulfinylphenoxy]propanoate Traditional Name: sodium 2-[4-[2-chloro-4-(trifluoromethyl)phenyl]sulfinylphenoxy]propionate Formula: C16H11ClF3NaO4S MolecularWeight: 414.75912

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)[O-])OC1=CC=C(C=C1)S(=O)C2=C(C=C(C=C2)C(F)(F)F)Cl.[Na+]

Isomeric SMILES

CC(C(=O)[O-])OC1=CC=C(C=C1)S(=O)C2=C(C=C(C=C2)C(F)(F)F)Cl.[Na+]

InChI

InChI=1S/C16H12ClF3O4S.Na/c1-9(15(21)22)24-11-3-5-12(6-4-11)25(23)14-7-2-10(8-13(14)17)16(18,19)20;/h2-9H,1H3,(H,21,22);/q;+1/p-1