(3-nitro-4-phenylsulfanyl-phenyl)methyl 2,6-bis(fluoranyl)benzoate

Systemtic Name: (3-nitro-4-phenylsulfanyl-phenyl)methyl 2,6-bis(fluoranyl)benzoate Openeye Name: (3-nitro-4-phenylsulfanyl-phenyl)methyl 2,6-difluorobenzoate CAS Name: 2,6-difluorobenzoic acid [3-nitro-4-(phenylthio)phenyl]methyl ester IUPAC Name: (3-nitro-4-phenylsulfanylphenyl)methyl 2,6-difluorobenzoate Traditional Name: 2,6-difluorobenzoic acid [3-nitro-4-(phenylthio)benzyl] ester Formula: C20H13F2NO4S MolecularWeight: 401.383326

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SC2=C(C=C(C=C2)COC(=O)C3=C(C=CC=C3F)F)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)SC2=C(C=C(C=C2)COC(=O)C3=C(C=CC=C3F)F)[N+](=O)[O-]

InChI

InChI=1S/C20H13F2NO4S/c21-15-7-4-8-16(22)19(15)20(24)27-12-13-9-10-18(17(11-13)23(25)26)28-14-5-2-1-3-6-14/h1-11H,12H2