8-(4-chloranylphenoxy)-2-(4-methylphenyl)sulfanyl-octanoic acid

Systemtic Name: 8-(4-chloranylphenoxy)-2-(4-methylphenyl)sulfanyl-octanoic acid Openeye Name: 8-(4-chlorophenoxy)-2-(p-tolylsulfanyl)octanoic acid CAS Name: 8-(4-chlorophenoxy)-2-[(4-methylphenyl)thio]octanoic acid IUPAC Name: 8-(4-chlorophenoxy)-2-(4-methylphenyl)sulfanyloctanoic acid Traditional Name: 8-(4-chlorophenoxy)-2-(p-tolylthio)caprylic acid Formula: C21H25ClO3S MolecularWeight: 392.9394

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC(CCCCCCOC2=CC=C(C=C2)Cl)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)SC(CCCCCCOC2=CC=C(C=C2)Cl)C(=O)O

InChI

InChI=1S/C21H25ClO3S/c1-16-7-13-19(14-8-16)26-20(21(23)24)6-4-2-3-5-15-25-18-11-9-17(22)10-12-18/h7-14,20H,2-6,15H2,1H3,(H,23,24)