[3-(trifluoromethyl)phenyl] 2-methyl-5-nitro-benzenesulfonate

Systemtic Name: [3-(trifluoromethyl)phenyl] 2-methyl-5-nitro-benzenesulfonate Openeye Name: [3-(trifluoromethyl)phenyl] 2-methyl-5-nitro-benzenesulfonate CAS Name: 2-methyl-5-nitrobenzenesulfonic acid [3-(trifluoromethyl)phenyl] ester IUPAC Name: [3-(trifluoromethyl)phenyl] 2-methyl-5-nitrobenzenesulfonate Traditional Name: 2-methyl-5-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=C(C=C1)[N+](=O)[O-])S(=O)(=O)OC2=CC=CC(=C2)C(F)(F)F

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)OC2=CC=CC(=C2)C(F)(F)F

InChI

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