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

Systemtic Name: 6-(4-chloranylphenoxy)-2-(4-methylphenyl)sulfonyl-hexanoic acid Openeye Name: 6-(4-chlorophenoxy)-2-(p-tolylsulfonyl)hexanoic acid CAS Name: 6-(4-chlorophenoxy)-2-(4-methylphenyl)sulfonylhexanoic acid IUPAC Name: 6-(4-chlorophenoxy)-2-(4-methylphenyl)sulfonylhexanoic acid Traditional Name: 6-(4-chlorophenoxy)-2-tosyl-hexanoic 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(CCCCOC2=CC=C(C=C2)Cl)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C(CCCCOC2=CC=C(C=C2)Cl)C(=O)O

InChI

InChI=1S/C19H21ClO5S/c1-14-5-11-17(12-6-14)26(23,24)18(19(21)22)4-2-3-13-25-16-9-7-15(20)8-10-16/h5-12,18H,2-4,13H2,1H3,(H,21,22)