ethyl 2-(4-methylphenyl)sulfonyl-7-[3-(trifluoromethyl)phenyl]heptanoate

Systemtic Name: ethyl 2-(4-methylphenyl)sulfonyl-7-[3-(trifluoromethyl)phenyl]heptanoate Openeye Name: ethyl 2-(p-tolylsulfonyl)-7-[3-(trifluoromethyl)phenyl]heptanoate CAS Name: 2-(4-methylphenyl)sulfonyl-7-[3-(trifluoromethyl)phenyl]heptanoic acid ethyl ester IUPAC Name: ethyl 2-(4-methylphenyl)sulfonyl-7-[3-(trifluoromethyl)phenyl]heptanoate Traditional Name: 2-tosyl-7-[3-(trifluoromethyl)phenyl]enanthic acid ethyl ester Formula: C23H27F3O4S MolecularWeight: 456.51829

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CCCCCC1=CC(=CC=C1)C(F)(F)F)S(=O)(=O)C2=CC=C(C=C2)C

Isomeric SMILES

CCOC(=O)C(CCCCCC1=CC(=CC=C1)C(F)(F)F)S(=O)(=O)C2=CC=C(C=C2)C

InChI

InChI=1S/C23H27F3O4S/c1-3-30-22(27)21(31(28,29)20-14-12-17(2)13-15-20)11-6-4-5-8-18-9-7-10-19(16-18)23(24,25)26/h7,9-10,12-16,21H,3-6,8,11H2,1-2H3