4-(2-chloranylphenoxy)-2-(4-methylphenyl)sulfanyl-heptanoic acid

Systemtic Name: 4-(2-chloranylphenoxy)-2-(4-methylphenyl)sulfanyl-heptanoic acid Openeye Name: 4-(2-chlorophenoxy)-2-(p-tolylsulfanyl)heptanoic acid CAS Name: 4-(2-chlorophenoxy)-2-[(4-methylphenyl)thio]heptanoic acid IUPAC Name: 4-(2-chlorophenoxy)-2-(4-methylphenyl)sulfanylheptanoic acid Traditional Name: 4-(2-chlorophenoxy)-2-(p-tolylthio)enanthic acid Formula: C20H23ClO3S MolecularWeight: 378.91282

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(CC(C(=O)O)SC1=CC=C(C=C1)C)OC2=CC=CC=C2Cl

Isomeric SMILES

CCCC(CC(C(=O)O)SC1=CC=C(C=C1)C)OC2=CC=CC=C2Cl

InChI

InChI=1S/C20H23ClO3S/c1-3-6-15(24-18-8-5-4-7-17(18)21)13-19(20(22)23)25-16-11-9-14(2)10-12-16/h4-5,7-12,15,19H,3,6,13H2,1-2H3,(H,22,23)