5-[2-[3-(4-methylphenyl)-1-sulfonyl-propoxy]-2-oxidanylidene-ethoxy]-2-oxidanyl-benzoic acid

Systemtic Name: 5-[2-[3-(4-methylphenyl)-1-sulfonyl-propoxy]-2-oxidanylidene-ethoxy]-2-oxidanyl-benzoic acid Openeye Name: 2-hydroxy-5-[2-oxo-2-[3-(p-tolyl)-1-sulfonyl-propoxy]ethoxy]benzoic acid CAS Name: 2-hydroxy-5-[2-[3-(4-methylphenyl)-1-sulfonylpropoxy]-2-oxoethoxy]benzoic acid IUPAC Name: 2-hydroxy-5-[2-[3-(4-methylphenyl)-1-sulfonylpropoxy]-2-oxoethoxy]benzoic acid Traditional Name: 2-hydroxy-5-[2-keto-2-[3-(p-tolyl)-1-sulfonyl-propoxy]ethoxy]benzoic acid Formula: C19H18O8S MolecularWeight: 406.40642

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CCC(=S(=O)=O)OC(=O)COC2=CC(=C(C=C2)O)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)CCC(=S(=O)=O)OC(=O)COC2=CC(=C(C=C2)O)C(=O)O

InChI

InChI=1S/C19H18O8S/c1-12-2-4-13(5-3-12)6-9-18(28(24)25)27-17(21)11-26-14-7-8-16(20)15(10-14)19(22)23/h2-5,7-8,10,20H,6,9,11H2,1H3,(H,22,23)