3-cyclohexyl-4-[2-(4-methylphenyl)sulfonylethoxy]-2-oxidanyl-benzoic acid

Systemtic Name: 3-cyclohexyl-4-[2-(4-methylphenyl)sulfonylethoxy]-2-oxidanyl-benzoic acid Openeye Name: 3-cyclohexyl-2-hydroxy-4-[2-(p-tolylsulfonyl)ethoxy]benzoic acid CAS Name: 3-cyclohexyl-2-hydroxy-4-[2-(4-methylphenyl)sulfonylethoxy]benzoic acid IUPAC Name: 3-cyclohexyl-2-hydroxy-4-[2-(4-methylphenyl)sulfonylethoxy]benzoic acid Traditional Name: 3-cyclohexyl-2-hydroxy-4-(2-tosylethoxy)benzoic acid Formula: C22H26O6S MolecularWeight: 418.50324

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)CCOC2=C(C(=C(C=C2)C(=O)O)O)C3CCCCC3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)CCOC2=C(C(=C(C=C2)C(=O)O)O)C3CCCCC3

InChI

InChI=1S/C22H26O6S/c1-15-7-9-17(10-8-15)29(26,27)14-13-28-19-12-11-18(22(24)25)21(23)20(19)16-5-3-2-4-6-16/h7-12,16,23H,2-6,13-14H2,1H3,(H,24,25)