2-(4-chloranyl-2,5-dimethyl-phenyl)sulfanylbenzoic acid

Systemtic Name: 2-(4-chloranyl-2,5-dimethyl-phenyl)sulfanylbenzoic acid Openeye Name: 2-(4-chloro-2,5-dimethyl-phenyl)sulfanylbenzoic acid CAS Name: 2-[(4-chloro-2,5-dimethylphenyl)thio]benzoic acid IUPAC Name: 2-(4-chloro-2,5-dimethylphenyl)sulfanylbenzoic acid Traditional Name: 2-[(4-chloro-2,5-dimethyl-phenyl)thio]benzoic acid Formula: C15H13ClO2S MolecularWeight: 292.78052

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1Cl)C)SC2=CC=CC=C2C(=O)O

Isomeric SMILES

CC1=CC(=C(C=C1Cl)C)SC2=CC=CC=C2C(=O)O

InChI

InChI=1S/C15H13ClO2S/c1-9-8-14(10(2)7-12(9)16)19-13-6-4-3-5-11(13)15(17)18/h3-8H,1-2H3,(H,17,18)