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

Systemtic Name: 3,5-dimethyl-4-[2-(4-methylphenyl)sulfonylethoxy]-2-oxidanyl-benzoic acid Openeye Name: 2-hydroxy-3,5-dimethyl-4-[2-(p-tolylsulfonyl)ethoxy]benzoic acid CAS Name: 2-hydroxy-3,5-dimethyl-4-[2-(4-methylphenyl)sulfonylethoxy]benzoic acid IUPAC Name: 2-hydroxy-3,5-dimethyl-4-[2-(4-methylphenyl)sulfonylethoxy]benzoic acid Traditional Name: 2-hydroxy-3,5-dimethyl-4-(2-tosylethoxy)benzoic acid Formula: C18H20O6S MolecularWeight: 364.4128

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)CCOC2=C(C=C(C(=C2C)O)C(=O)O)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)CCOC2=C(C=C(C(=C2C)O)C(=O)O)C

InChI

InChI=1S/C18H20O6S/c1-11-4-6-14(7-5-11)25(22,23)9-8-24-17-12(2)10-15(18(20)21)16(19)13(17)3/h4-7,10,19H,8-9H2,1-3H3,(H,20,21)