5-[[4-[3-(4-methylphenyl)sulfonylpropoxy]phenyl]methyl]-2-oxidanyl-benzoic acid

Systemtic Name: 5-[[4-[3-(4-methylphenyl)sulfonylpropoxy]phenyl]methyl]-2-oxidanyl-benzoic acid Openeye Name: 2-hydroxy-5-[[4-[3-(p-tolylsulfonyl)propoxy]phenyl]methyl]benzoic acid CAS Name: 2-hydroxy-5-[[4-[3-(4-methylphenyl)sulfonylpropoxy]phenyl]methyl]benzoic acid IUPAC Name: 2-hydroxy-5-[[4-[3-(4-methylphenyl)sulfonylpropoxy]phenyl]methyl]benzoic acid Traditional Name: 2-hydroxy-5-[4-(3-tosylpropoxy)benzyl]benzoic acid Formula: C24H24O6S MolecularWeight: 440.50876

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)CCCOC2=CC=C(C=C2)CC3=CC(=C(C=C3)O)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)CCCOC2=CC=C(C=C2)CC3=CC(=C(C=C3)O)C(=O)O

InChI

InChI=1S/C24H24O6S/c1-17-3-10-21(11-4-17)31(28,29)14-2-13-30-20-8-5-18(6-9-20)15-19-7-12-23(25)22(16-19)24(26)27/h3-12,16,25H,2,13-15H2,1H3,(H,26,27)