3,5-bis(chloranyl)-4-[2-(4-methylphenyl)sulfonylethoxy]-2-oxidanyl-benzoic acid

Systemtic Name: 3,5-bis(chloranyl)-4-[2-(4-methylphenyl)sulfonylethoxy]-2-oxidanyl-benzoic acid Openeye Name: 3,5-dichloro-2-hydroxy-4-[2-(p-tolylsulfonyl)ethoxy]benzoic acid CAS Name: 3,5-dichloro-2-hydroxy-4-[2-(4-methylphenyl)sulfonylethoxy]benzoic acid IUPAC Name: 3,5-dichloro-2-hydroxy-4-[2-(4-methylphenyl)sulfonylethoxy]benzoic acid Traditional Name: 3,5-dichloro-2-hydroxy-4-(2-tosylethoxy)benzoic acid Formula: C16H14Cl2O6S MolecularWeight: 405.24976

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)CCOC2=C(C=C(C(=C2Cl)O)C(=O)O)Cl

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)CCOC2=C(C=C(C(=C2Cl)O)C(=O)O)Cl

InChI

InChI=1S/C16H14Cl2O6S/c1-9-2-4-10(5-3-9)25(22,23)7-6-24-15-12(17)8-11(16(20)21)14(19)13(15)18/h2-5,8,19H,6-7H2,1H3,(H,20,21)