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

Systemtic Name: 5-[2-[4-[3-(4-methylphenyl)sulfonylpropoxy]phenyl]propan-2-yl]-2-oxidanyl-benzoic acid Openeye Name: 2-hydroxy-5-[1-methyl-1-[4-[3-(p-tolylsulfonyl)propoxy]phenyl]ethyl]benzoic acid CAS Name: 2-hydroxy-5-[2-[4-[3-(4-methylphenyl)sulfonylpropoxy]phenyl]propan-2-yl]benzoic acid IUPAC Name: 2-hydroxy-5-[2-[4-[3-(4-methylphenyl)sulfonylpropoxy]phenyl]propan-2-yl]benzoic acid Traditional Name: 2-hydroxy-5-[1-methyl-1-[4-(3-tosylpropoxy)phenyl]ethyl]benzoic acid Formula: C26H28O6S MolecularWeight: 468.56192

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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)(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)(C)C3=CC(=C(C=C3)O)C(=O)O

InChI

InChI=1S/C26H28O6S/c1-18-5-12-22(13-6-18)33(30,31)16-4-15-32-21-10-7-19(8-11-21)26(2,3)20-9-14-24(27)23(17-20)25(28)29/h5-14,17,27H,4,15-16H2,1-3H3,(H,28,29)