sodium 4-[2-(4-chlorophenyl)ethoxy]-2-(4-methylphenyl)sulfonyl-butanoate

Systemtic Name: sodium 4-[2-(4-chlorophenyl)ethoxy]-2-(4-methylphenyl)sulfonyl-butanoate Openeye Name: sodium 4-[2-(4-chlorophenyl)ethoxy]-2-(p-tolylsulfonyl)butanoate CAS Name: sodium 4-[2-(4-chlorophenyl)ethoxy]-2-(4-methylphenyl)sulfonylbutanoate IUPAC Name: sodium 4-[2-(4-chlorophenyl)ethoxy]-2-(4-methylphenyl)sulfonylbutanoate Traditional Name: sodium 4-[2-(4-chlorophenyl)ethoxy]-2-tosyl-butyrate Formula: C19H20ClNaO5S MolecularWeight: 418.86687

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C(CCOCCC2=CC=C(C=C2)Cl)C(=O)[O-].[Na+]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C(CCOCCC2=CC=C(C=C2)Cl)C(=O)[O-].[Na+]

InChI

InChI=1S/C19H21ClO5S.Na/c1-14-2-8-17(9-3-14)26(23,24)18(19(21)22)11-13-25-12-10-15-4-6-16(20)7-5-15;/h2-9,18H,10-13H2,1H3,(H,21,22);/q;+1/p-1