3-chloranyl-5-methylsulfonyl-4-phenoxy-benzoic acid

Systemtic Name: 3-chloranyl-5-methylsulfonyl-4-phenoxy-benzoic acid Openeye Name: 3-chloro-5-methylsulfonyl-4-phenoxy-benzoic acid CAS Name: 3-chloro-5-methylsulfonyl-4-phenoxybenzoic acid IUPAC Name: 3-chloro-5-methylsulfonyl-4-phenoxybenzoic acid Traditional Name: 3-chloro-5-mesyl-4-phenoxy-benzoic acid Formula: C14H11ClO5S MolecularWeight: 326.75214

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=C(C(=CC(=C1)C(=O)O)Cl)OC2=CC=CC=C2

Isomeric SMILES

CS(=O)(=O)C1=C(C(=CC(=C1)C(=O)O)Cl)OC2=CC=CC=C2

InChI

InChI=1S/C14H11ClO5S/c1-21(18,19)12-8-9(14(16)17)7-11(15)13(12)20-10-5-3-2-4-6-10/h2-8H,1H3,(H,16,17)