[2,2-bis(fluoranyl)-1-(2-fluorophenyl)-2-nitro-ethyl] 4-methylbenzenesulfonate

Systemtic Name: [2,2-bis(fluoranyl)-1-(2-fluorophenyl)-2-nitro-ethyl] 4-methylbenzenesulfonate Openeye Name: [2,2-difluoro-1-(2-fluorophenyl)-2-nitro-ethyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [2,2-difluoro-1-(2-fluorophenyl)-2-nitroethyl] ester IUPAC Name: [2,2-difluoro-1-(2-fluorophenyl)-2-nitroethyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [2,2-difluoro-1-(2-fluorophenyl)-2-nitro-ethyl] ester Formula: C15H12F3NO5S MolecularWeight: 375.31969

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC(C2=CC=CC=C2F)C([N+](=O)[O-])(F)F

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC(C2=CC=CC=C2F)C([N+](=O)[O-])(F)F

InChI

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