4-[(3-chlorophenyl)methylsulfonyl]benzoic acid

Systemtic Name: 4-[(3-chlorophenyl)methylsulfonyl]benzoic acid Openeye Name: 4-[(3-chlorophenyl)methylsulfonyl]benzoic acid CAS Name: 4-[(3-chlorophenyl)methylsulfonyl]benzoic acid IUPAC Name: 4-[(3-chlorophenyl)methylsulfonyl]benzoic acid Traditional Name: 4-(3-chlorobenzyl)sulfonylbenzoic acid Formula: C14H11ClO4S MolecularWeight: 310.75274

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H11ClO4S/c15-12-3-1-2-10(8-12)9-20(18,19)13-6-4-11(5-7-13)14(16)17/h1-8H,9H2,(H,16,17)