4-[2-chloranyl-4-[(3-methylphenyl)methylsulfanylmethyl]phenyl]benzoic acid

Systemtic Name: 4-[2-chloranyl-4-[(3-methylphenyl)methylsulfanylmethyl]phenyl]benzoic acid Openeye Name: 4-[2-chloro-4-(m-tolylmethylsulfanylmethyl)phenyl]benzoic acid CAS Name: 4-[2-chloro-4-[[(3-methylphenyl)methylthio]methyl]phenyl]benzoic acid IUPAC Name: 4-[2-chloro-4-[(3-methylphenyl)methylsulfanylmethyl]phenyl]benzoic acid Traditional Name: 4-[2-chloro-4-[[(3-methylbenzyl)thio]methyl]phenyl]benzoic acid Formula: C22H19ClO2S MolecularWeight: 382.90306

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CSCC2=CC(=C(C=C2)C3=CC=C(C=C3)C(=O)O)Cl

Isomeric SMILES

CC1=CC(=CC=C1)CSCC2=CC(=C(C=C2)C3=CC=C(C=C3)C(=O)O)Cl

InChI

InChI=1S/C22H19ClO2S/c1-15-3-2-4-16(11-15)13-26-14-17-5-10-20(21(23)12-17)18-6-8-19(9-7-18)22(24)25/h2-12H,13-14H2,1H3,(H,24,25)