4-[3-(4-chlorophenyl)prop-2-ynoxy]-2-(4-methylphenyl)sulfonyl-butanoic acid

Systemtic Name: 4-[3-(4-chlorophenyl)prop-2-ynoxy]-2-(4-methylphenyl)sulfonyl-butanoic acid Openeye Name: 4-[3-(4-chlorophenyl)prop-2-ynoxy]-2-(p-tolylsulfonyl)butanoic acid CAS Name: 4-[3-(4-chlorophenyl)prop-2-ynoxy]-2-(4-methylphenyl)sulfonylbutanoic acid IUPAC Name: 4-[3-(4-chlorophenyl)prop-2-ynoxy]-2-(4-methylphenyl)sulfonylbutanoic acid Traditional Name: 4-[3-(4-chlorophenyl)prop-2-ynoxy]-2-tosyl-butyric acid Formula: C20H19ClO5S MolecularWeight: 406.87986

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C(CCOCC#CC2=CC=C(C=C2)Cl)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C(CCOCC#CC2=CC=C(C=C2)Cl)C(=O)O

InChI

InChI=1S/C20H19ClO5S/c1-15-4-10-18(11-5-15)27(24,25)19(20(22)23)12-14-26-13-2-3-16-6-8-17(21)9-7-16/h4-11,19H,12-14H2,1H3,(H,22,23)