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

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

Systemtic Name:3-methyl-5-[3-(4-methylphenyl)sulfonylpropoxy]-2-oxidanyl-benzoic acid
Openeye Name:2-hydroxy-3-methyl-5-[3-(p-tolylsulfonyl)propoxy]benzoic acid
CAS Name:2-hydroxy-3-methyl-5-[3-(4-methylphenyl)sulfonylpropoxy]benzoic acid
IUPAC Name:2-hydroxy-3-methyl-5-[3-(4-methylphenyl)sulfonylpropoxy]benzoic acid
Traditional Name:2-hydroxy-3-methyl-5-(3-tosylpropoxy)benzoic acid
Formula: C18H20O6S
MolecularWeight: 364.4128
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/C18H20O6S/c1-12-4-6-15(7-5-12)25(22,23)9-3-8-24-14-10-13(2)17(19)16(11-14)18(20)21/h4-7,10-11,19H,3,8-9H2,1-2H3,(H,20,21)


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