[3-[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]oxyphenyl] 4-methylbenzenesulfonate

Systemtic Name: [3-[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]oxyphenyl] 4-methylbenzenesulfonate Openeye Name: [3-[[3-chloro-5-(trifluoromethyl)-2-pyridyl]oxy]phenyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl] ester IUPAC Name: [3-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxyphenyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [3-[[3-chloro-5-(trifluoromethyl)-2-pyridyl]oxy]phenyl] ester Formula: C19H13ClF3NO4S MolecularWeight: 443.82403

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=CC(=C2)OC3=C(C=C(C=N3)C(F)(F)F)Cl

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=CC(=C2)OC3=C(C=C(C=N3)C(F)(F)F)Cl

InChI

InChI=1S/C19H13ClF3NO4S/c1-12-5-7-16(8-6-12)29(25,26)28-15-4-2-3-14(10-15)27-18-17(20)9-13(11-24-18)19(21,22)23/h2-11H,1H3