5-[1-[4-[3-(4-methylphenyl)sulfonylpropoxy]phenyl]ethyl]-2-oxidanyl-benzoic acid

Systemtic Name: 5-[1-[4-[3-(4-methylphenyl)sulfonylpropoxy]phenyl]ethyl]-2-oxidanyl-benzoic acid Openeye Name: 2-hydroxy-5-[1-[4-[3-(p-tolylsulfonyl)propoxy]phenyl]ethyl]benzoic acid CAS Name: 2-hydroxy-5-[1-[4-[3-(4-methylphenyl)sulfonylpropoxy]phenyl]ethyl]benzoic acid IUPAC Name: 2-hydroxy-5-[1-[4-[3-(4-methylphenyl)sulfonylpropoxy]phenyl]ethyl]benzoic acid Traditional Name: 2-hydroxy-5-[1-[4-(3-tosylpropoxy)phenyl]ethyl]benzoic acid Formula: C25H26O6S MolecularWeight: 454.53534

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H26O6S/c1-17-4-11-22(12-5-17)32(29,30)15-3-14-31-21-9-6-19(7-10-21)18(2)20-8-13-24(26)23(16-20)25(27)28/h4-13,16,18,26H,3,14-15H2,1-2H3,(H,27,28)