5-[8-(4-methylphenyl)-1-sulfonyl-octoxy]-2-oxidanyl-benzoic acid

Systemtic Name: 5-[8-(4-methylphenyl)-1-sulfonyl-octoxy]-2-oxidanyl-benzoic acid Openeye Name: 2-hydroxy-5-[8-(p-tolyl)-1-sulfonyl-octoxy]benzoic acid CAS Name: 2-hydroxy-5-[8-(4-methylphenyl)-1-sulfonyloctoxy]benzoic acid IUPAC Name: 2-hydroxy-5-[8-(4-methylphenyl)-1-sulfonyloctoxy]benzoic acid Traditional Name: 2-hydroxy-5-[8-(p-tolyl)-1-sulfonyl-octoxy]benzoic acid Formula: C22H26O6S MolecularWeight: 418.50324

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CCCCCCCC(=S(=O)=O)OC2=CC(=C(C=C2)O)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)CCCCCCCC(=S(=O)=O)OC2=CC(=C(C=C2)O)C(=O)O

InChI

InChI=1S/C22H26O6S/c1-16-9-11-17(12-10-16)7-5-3-2-4-6-8-21(29(26)27)28-18-13-14-20(23)19(15-18)22(24)25/h9-15,23H,2-8H2,1H3,(H,24,25)