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

Systemtic Name: 5-[2-[4-[4-(4-methylphenyl)sulfonylbutoxy]phenyl]propan-2-yl]-2-oxidanyl-benzoic acid Openeye Name: 2-hydroxy-5-[1-methyl-1-[4-[4-(p-tolylsulfonyl)butoxy]phenyl]ethyl]benzoic acid CAS Name: 2-hydroxy-5-[2-[4-[4-(4-methylphenyl)sulfonylbutoxy]phenyl]propan-2-yl]benzoic acid IUPAC Name: 2-hydroxy-5-[2-[4-[4-(4-methylphenyl)sulfonylbutoxy]phenyl]propan-2-yl]benzoic acid Traditional Name: 2-hydroxy-5-[1-methyl-1-[4-(4-tosylbutoxy)phenyl]ethyl]benzoic acid Formula: C27H30O6S MolecularWeight: 482.5885

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)CCCCOC2=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)CCCCOC2=CC=C(C=C2)C(C)(C)C3=CC(=C(C=C3)O)C(=O)O

InChI

InChI=1S/C27H30O6S/c1-19-6-13-23(14-7-19)34(31,32)17-5-4-16-33-22-11-8-20(9-12-22)27(2,3)21-10-15-25(28)24(18-21)26(29)30/h6-15,18,28H,4-5,16-17H2,1-3H3,(H,29,30)