2-[(4-chlorophenyl)methylsulfanyl]-5-methyl-benzoic acid

Systemtic Name: 2-[(4-chlorophenyl)methylsulfanyl]-5-methyl-benzoic acid Openeye Name: 2-[(4-chlorophenyl)methylsulfanyl]-5-methyl-benzoic acid CAS Name: 2-[(4-chlorophenyl)methylthio]-5-methylbenzoic acid IUPAC Name: 2-[(4-chlorophenyl)methylsulfanyl]-5-methylbenzoic acid Traditional Name: 2-[(4-chlorobenzyl)thio]-5-methyl-benzoic acid Formula: C15H13ClO2S MolecularWeight: 292.78052

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)SCC2=CC=C(C=C2)Cl)C(=O)O

Isomeric SMILES

CC1=CC(=C(C=C1)SCC2=CC=C(C=C2)Cl)C(=O)O

InChI

InChI=1S/C15H13ClO2S/c1-10-2-7-14(13(8-10)15(17)18)19-9-11-3-5-12(16)6-4-11/h2-8H,9H2,1H3,(H,17,18)