2-chloranyl-4-methylsulfonyl-3-phenylmethoxy-benzoic acid

Systemtic Name: 2-chloranyl-4-methylsulfonyl-3-phenylmethoxy-benzoic acid Openeye Name: 3-benzyloxy-2-chloro-4-methylsulfonyl-benzoic acid CAS Name: 2-chloro-4-methylsulfonyl-3-phenylmethoxybenzoic acid IUPAC Name: 2-chloro-4-methylsulfonyl-3-phenylmethoxybenzoic acid Traditional Name: 3-benzoxy-2-chloro-4-mesyl-benzoic acid Formula: C15H13ClO5S MolecularWeight: 340.77872

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=C(C(=C(C=C1)C(=O)O)Cl)OCC2=CC=CC=C2

Isomeric SMILES

CS(=O)(=O)C1=C(C(=C(C=C1)C(=O)O)Cl)OCC2=CC=CC=C2

InChI

InChI=1S/C15H13ClO5S/c1-22(19,20)12-8-7-11(15(17)18)13(16)14(12)21-9-10-5-3-2-4-6-10/h2-8H,9H2,1H3,(H,17,18)