4-chloranyl-2-fluoranyl-5-(phenylmethyl)sulfonyl-benzoic acid

Systemtic Name: 4-chloranyl-2-fluoranyl-5-(phenylmethyl)sulfonyl-benzoic acid Openeye Name: 5-benzylsulfonyl-4-chloro-2-fluoro-benzoic acid CAS Name: 4-chloro-2-fluoro-5-(phenylmethyl)sulfonylbenzoic acid IUPAC Name: 5-benzylsulfonyl-4-chloro-2-fluorobenzoic acid Traditional Name: 5-benzylsulfonyl-4-chloro-2-fluoro-benzoic acid Formula: C14H10ClFO4S MolecularWeight: 328.743203

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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