3-chloranyl-4-[(3-methylphenyl)methylsulfanyl]benzoic acid

Systemtic Name: 3-chloranyl-4-[(3-methylphenyl)methylsulfanyl]benzoic acid Openeye Name: 3-chloro-4-(m-tolylmethylsulfanyl)benzoic acid CAS Name: 3-chloro-4-[(3-methylphenyl)methylthio]benzoic acid IUPAC Name: 3-chloro-4-[(3-methylphenyl)methylsulfanyl]benzoic acid Traditional Name: 3-chloro-4-[(3-methylbenzyl)thio]benzoic acid Formula: C15H13ClO2S MolecularWeight: 292.78052

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CSC2=C(C=C(C=C2)C(=O)O)Cl

Isomeric SMILES

CC1=CC(=CC=C1)CSC2=C(C=C(C=C2)C(=O)O)Cl

InChI

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