[3-(trifluoromethyl)phenyl] 2-methyl-3-nitro-benzenesulfonate

Systemtic Name: [3-(trifluoromethyl)phenyl] 2-methyl-3-nitro-benzenesulfonate Openeye Name: [3-(trifluoromethyl)phenyl] 2-methyl-3-nitro-benzenesulfonate CAS Name: 2-methyl-3-nitrobenzenesulfonic acid [3-(trifluoromethyl)phenyl] ester IUPAC Name: [3-(trifluoromethyl)phenyl] 2-methyl-3-nitrobenzenesulfonate Traditional Name: 2-methyl-3-nitro-benzenesulfonic acid [3-(trifluoromethyl)phenyl] ester Formula: C14H10F3NO5S MolecularWeight: 361.29311

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1S(=O)(=O)OC2=CC=CC(=C2)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC=C1S(=O)(=O)OC2=CC=CC(=C2)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C14H10F3NO5S/c1-9-12(18(19)20)6-3-7-13(9)24(21,22)23-11-5-2-4-10(8-11)14(15,16)17/h2-8H,1H3