3-[3-(4-chlorophenyl)propoxy]-2-(4-methylphenyl)sulfonyl-propanoic acid

Systemtic Name: 3-[3-(4-chlorophenyl)propoxy]-2-(4-methylphenyl)sulfonyl-propanoic acid Openeye Name: 3-[3-(4-chlorophenyl)propoxy]-2-(p-tolylsulfonyl)propanoic acid CAS Name: 3-[3-(4-chlorophenyl)propoxy]-2-(4-methylphenyl)sulfonylpropanoic acid IUPAC Name: 3-[3-(4-chlorophenyl)propoxy]-2-(4-methylphenyl)sulfonylpropanoic acid Traditional Name: 3-[3-(4-chlorophenyl)propoxy]-2-tosyl-propionic acid Formula: C19H21ClO5S MolecularWeight: 396.88504

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C(COCCCC2=CC=C(C=C2)Cl)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C(COCCCC2=CC=C(C=C2)Cl)C(=O)O

InChI

InChI=1S/C19H21ClO5S/c1-14-4-10-17(11-5-14)26(23,24)18(19(21)22)13-25-12-2-3-15-6-8-16(20)9-7-15/h4-11,18H,2-3,12-13H2,1H3,(H,21,22)