sodium 2-[4-chloranyl-2-(4-ethylsulfonylphenoxy)phenoxy]ethanoate

Systemtic Name: sodium 2-[4-chloranyl-2-(4-ethylsulfonylphenoxy)phenoxy]ethanoate Openeye Name: sodium 2-[4-chloro-2-(4-ethylsulfonylphenoxy)phenoxy]acetate CAS Name: sodium 2-[4-chloro-2-(4-ethylsulfonylphenoxy)phenoxy]acetate IUPAC Name: sodium 2-[4-chloro-2-(4-ethylsulfonylphenoxy)phenoxy]acetate Traditional Name: sodium 2-[4-chloro-2-(4-esylphenoxy)phenoxy]acetate Formula: C16H14ClNaO6S MolecularWeight: 392.78653

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)C1=CC=C(C=C1)OC2=C(C=CC(=C2)Cl)OCC(=O)[O-].[Na+]

Isomeric SMILES

CCS(=O)(=O)C1=CC=C(C=C1)OC2=C(C=CC(=C2)Cl)OCC(=O)[O-].[Na+]

InChI

InChI=1S/C16H15ClO6S.Na/c1-2-24(20,21)13-6-4-12(5-7-13)23-15-9-11(17)3-8-14(15)22-10-16(18)19;/h3-9H,2,10H2,1H3,(H,18,19);/q;+1/p-1