7-(4-chlorophenyl)-2-methylsulfanyl-heptanoic acid

Systemtic Name: 7-(4-chlorophenyl)-2-methylsulfanyl-heptanoic acid Openeye Name: 7-(4-chlorophenyl)-2-methylsulfanyl-heptanoic acid CAS Name: 7-(4-chlorophenyl)-2-(methylthio)heptanoic acid IUPAC Name: 7-(4-chlorophenyl)-2-methylsulfanylheptanoic acid Traditional Name: 7-(4-chlorophenyl)-2-(methylthio)enanthic acid Formula: C14H19ClO2S MolecularWeight: 286.81746

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Descriptors Computed from Structure

Canonical SMILES:

CSC(CCCCCC1=CC=C(C=C1)Cl)C(=O)O

Isomeric SMILES

CSC(CCCCCC1=CC=C(C=C1)Cl)C(=O)O

InChI

InChI=1S/C14H19ClO2S/c1-18-13(14(16)17)6-4-2-3-5-11-7-9-12(15)10-8-11/h7-10,13H,2-6H2,1H3,(H,16,17)