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4-[8-(4-methylphenyl)sulfonyloctoxy]-2-oxidanyl-benzoic acid

4-[8-(4-methylphenyl)sulfonyloctoxy]-2-oxidanyl-benzoic acid

Systemtic Name:4-[8-(4-methylphenyl)sulfonyloctoxy]-2-oxidanyl-benzoic acid
Openeye Name:2-hydroxy-4-[8-(p-tolylsulfonyl)octoxy]benzoic acid
CAS Name:2-hydroxy-4-[8-(4-methylphenyl)sulfonyloctoxy]benzoic acid
IUPAC Name:2-hydroxy-4-[8-(4-methylphenyl)sulfonyloctoxy]benzoic acid
Traditional Name:2-hydroxy-4-(8-tosyloctoxy)benzoic acid
Formula: C22H28O6S
MolecularWeight: 420.51912
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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)CCCCCCCCOC2=CC(=C(C=C2)C(=O)O)O


Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)CCCCCCCCOC2=CC(=C(C=C2)C(=O)O)O


InChI

InChI=1S/C22H28O6S/c1-17-8-11-19(12-9-17)29(26,27)15-7-5-3-2-4-6-14-28-18-10-13-20(22(24)25)21(23)16-18/h8-13,16,23H,2-7,14-15H2,1H3,(H,24,25)


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