6-(4-chlorophenyl)-2-(4-methylphenyl)sulfonyl-hexanoic acid

Systemtic Name: 6-(4-chlorophenyl)-2-(4-methylphenyl)sulfonyl-hexanoic acid Openeye Name: 6-(4-chlorophenyl)-2-(p-tolylsulfonyl)hexanoic acid CAS Name: 6-(4-chlorophenyl)-2-(4-methylphenyl)sulfonylhexanoic acid IUPAC Name: 6-(4-chlorophenyl)-2-(4-methylphenyl)sulfonylhexanoic acid Traditional Name: 6-(4-chlorophenyl)-2-tosyl-hexanoic acid Formula: C19H21ClO4S MolecularWeight: 380.88564

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C(CCCCC2=CC=C(C=C2)Cl)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C(CCCCC2=CC=C(C=C2)Cl)C(=O)O

InChI

InChI=1S/C19H21ClO4S/c1-14-6-12-17(13-7-14)25(23,24)18(19(21)22)5-3-2-4-15-8-10-16(20)11-9-15/h6-13,18H,2-5H2,1H3,(H,21,22)