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2-(4-methylphenyl)sulfonyl-7-[3-(trifluoromethyl)phenyl]heptanoic acid

2-(4-methylphenyl)sulfonyl-7-[3-(trifluoromethyl)phenyl]heptanoic acid

Systemtic Name:2-(4-methylphenyl)sulfonyl-7-[3-(trifluoromethyl)phenyl]heptanoic acid
Openeye Name:2-(p-tolylsulfonyl)-7-[3-(trifluoromethyl)phenyl]heptanoic acid
CAS Name:2-(4-methylphenyl)sulfonyl-7-[3-(trifluoromethyl)phenyl]heptanoic acid
IUPAC Name:2-(4-methylphenyl)sulfonyl-7-[3-(trifluoromethyl)phenyl]heptanoic acid
Traditional Name:2-tosyl-7-[3-(trifluoromethyl)phenyl]enanthic acid
Formula: C21H23F3O4S
MolecularWeight: 428.46513
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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C(CCCCCC2=CC(=CC=C2)C(F)(F)F)C(=O)O


Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C(CCCCCC2=CC(=CC=C2)C(F)(F)F)C(=O)O


InChI

InChI=1S/C21H23F3O4S/c1-15-10-12-18(13-11-15)29(27,28)19(20(25)26)9-4-2-3-6-16-7-5-8-17(14-16)21(22,23)24/h5,7-8,10-14,19H,2-4,6,9H2,1H3,(H,25,26)


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