4-[2-[3-(4-methylphenyl)sulfonylpropoxy]-2-oxidanylidene-ethoxy]-2-oxidanyl-benzoic acid

Systemtic Name: 4-[2-[3-(4-methylphenyl)sulfonylpropoxy]-2-oxidanylidene-ethoxy]-2-oxidanyl-benzoic acid Openeye Name: 2-hydroxy-4-[2-oxo-2-[3-(p-tolylsulfonyl)propoxy]ethoxy]benzoic acid CAS Name: 2-hydroxy-4-[2-[3-(4-methylphenyl)sulfonylpropoxy]-2-oxoethoxy]benzoic acid IUPAC Name: 2-hydroxy-4-[2-[3-(4-methylphenyl)sulfonylpropoxy]-2-oxoethoxy]benzoic acid Traditional Name: 2-hydroxy-4-[2-keto-2-(3-tosylpropoxy)ethoxy]benzoic acid Formula: C19H20O8S MolecularWeight: 408.4223

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)CCCOC(=O)COC2=CC(=C(C=C2)C(=O)O)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)CCCOC(=O)COC2=CC(=C(C=C2)C(=O)O)O

InChI

InChI=1S/C19H20O8S/c1-13-3-6-15(7-4-13)28(24,25)10-2-9-26-18(21)12-27-14-5-8-16(19(22)23)17(20)11-14/h3-8,11,20H,2,9-10,12H2,1H3,(H,22,23)