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

Systemtic Name: 6-(4-chloranylphenoxy)-2-(4-methylphenyl)sulfanyl-hexanoic acid Openeye Name: 6-(4-chlorophenoxy)-2-(p-tolylsulfanyl)hexanoic acid CAS Name: 6-(4-chlorophenoxy)-2-[(4-methylphenyl)thio]hexanoic acid IUPAC Name: 6-(4-chlorophenoxy)-2-(4-methylphenyl)sulfanylhexanoic acid Traditional Name: 6-(4-chlorophenoxy)-2-(p-tolylthio)hexanoic acid Formula: C19H21ClO3S MolecularWeight: 364.88624

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21ClO3S/c1-14-5-11-17(12-6-14)24-18(19(21)22)4-2-3-13-23-16-9-7-15(20)8-10-16/h5-12,18H,2-4,13H2,1H3,(H,21,22)