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

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

Systemtic Name:5-[3-methyl-2-[4-[3-(4-methylphenyl)sulfonylpropoxy]phenyl]butan-2-yl]-2-oxidanyl-benzoic acid
Openeye Name:5-[1,2-dimethyl-1-[4-[3-(p-tolylsulfonyl)propoxy]phenyl]propyl]-2-hydroxy-benzoic acid
CAS Name:2-hydroxy-5-[3-methyl-2-[4-[3-(4-methylphenyl)sulfonylpropoxy]phenyl]butan-2-yl]benzoic acid
IUPAC Name:2-hydroxy-5-[3-methyl-2-[4-[3-(4-methylphenyl)sulfonylpropoxy]phenyl]butan-2-yl]benzoic acid
Traditional Name:5-[1,2-dimethyl-1-[4-(3-tosylpropoxy)phenyl]propyl]-2-hydroxy-benzoic acid
Formula: C28H32O6S
MolecularWeight: 496.61508
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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)C(C)C


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)C(C)C


InChI

InChI=1S/C28H32O6S/c1-19(2)28(4,22-10-15-26(29)25(18-22)27(30)31)21-8-11-23(12-9-21)34-16-5-17-35(32,33)24-13-6-20(3)7-14-24/h6-15,18-19,29H,5,16-17H2,1-4H3,(H,30,31)


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