[2-nitro-6-(trifluoromethyl)phenyl]methyl 4-methylbenzenesulfonate

Systemtic Name: [2-nitro-6-(trifluoromethyl)phenyl]methyl 4-methylbenzenesulfonate Openeye Name: [2-nitro-6-(trifluoromethyl)phenyl]methyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [2-nitro-6-(trifluoromethyl)phenyl]methyl ester IUPAC Name: [2-nitro-6-(trifluoromethyl)phenyl]methyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [2-nitro-6-(trifluoromethyl)benzyl] ester Formula: C15H12F3NO5S MolecularWeight: 375.31969

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCC2=C(C=CC=C2[N+](=O)[O-])C(F)(F)F

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCC2=C(C=CC=C2[N+](=O)[O-])C(F)(F)F

InChI

InChI=1S/C15H12F3NO5S/c1-10-5-7-11(8-6-10)25(22,23)24-9-12-13(15(16,17)18)3-2-4-14(12)19(20)21/h2-8H,9H2,1H3