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

Systemtic Name: 4-chloranyl-3-[(3-fluorophenyl)methylsulfonyl]benzoic acid Openeye Name: 4-chloro-3-[(3-fluorophenyl)methylsulfonyl]benzoic acid CAS Name: 4-chloro-3-[(3-fluorophenyl)methylsulfonyl]benzoic acid IUPAC Name: 4-chloro-3-[(3-fluorophenyl)methylsulfonyl]benzoic acid Traditional Name: 4-chloro-3-(3-fluorobenzyl)sulfonyl-benzoic acid Formula: C14H10ClFO4S MolecularWeight: 328.743203

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H10ClFO4S/c15-12-5-4-10(14(17)18)7-13(12)21(19,20)8-9-2-1-3-11(16)6-9/h1-7H,8H2,(H,17,18)