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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)S(=O)(=O)CC2=CC=C(C=C2)Cl)C(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)S(=O)(=O)CC2=CC=C(C=C2)Cl)C(=O)O

InChI

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