[4-[[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]methyl]phenyl] naphthalene-2-sulfonate

Systemtic Name: [4-[[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]methyl]phenyl] naphthalene-2-sulfonate Openeye Name: [4-[[3-chloro-5-(trifluoromethyl)-2-pyridyl]methyl]phenyl] naphthalene-2-sulfonate CAS Name: 2-naphthalenesulfonic acid [4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]phenyl] ester IUPAC Name: [4-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]methyl]phenyl] naphthalene-2-sulfonate Traditional Name: naphthalene-2-sulfonic acid [4-[[3-chloro-5-(trifluoromethyl)-2-pyridyl]methyl]phenyl] ester Formula: C23H15ClF3NO3S MolecularWeight: 477.88331

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C=C(C=CC2=C1)S(=O)(=O)OC3=CC=C(C=C3)CC4=C(C=C(C=N4)C(F)(F)F)Cl

Isomeric SMILES

C1=CC=C2C=C(C=CC2=C1)S(=O)(=O)OC3=CC=C(C=C3)CC4=C(C=C(C=N4)C(F)(F)F)Cl

InChI

InChI=1S/C23H15ClF3NO3S/c24-21-13-18(23(25,26)27)14-28-22(21)11-15-5-8-19(9-6-15)31-32(29,30)20-10-7-16-3-1-2-4-17(16)12-20/h1-10,12-14H,11H2