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

Systemtic Name: 4-chloranyl-3-[(4-methylphenyl)methylsulfonyl]benzoic acid Openeye Name: 4-chloro-3-(p-tolylmethylsulfonyl)benzoic acid CAS Name: 4-chloro-3-[(4-methylphenyl)methylsulfonyl]benzoic acid IUPAC Name: 4-chloro-3-[(4-methylphenyl)methylsulfonyl]benzoic acid Traditional Name: 4-chloro-3-(4-methylbenzyl)sulfonyl-benzoic acid Formula: C15H13ClO4S MolecularWeight: 324.77932

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H13ClO4S/c1-10-2-4-11(5-3-10)9-21(19,20)14-8-12(15(17)18)6-7-13(14)16/h2-8H,9H2,1H3,(H,17,18)