4-fluoranylbenzenethiol; 3-nitrobenzaldehyde; trifluoride

Systemtic Name: 4-fluoranylbenzenethiol; 3-nitrobenzaldehyde; trifluoride Openeye Name: 4-fluorobenzenethiol; 3-nitrobenzaldehyde; trifluoride CAS Name: 4-fluorobenzenethiol; 3-nitrobenzaldehyde; trifluoride IUPAC Name: 4-fluorobenzenethiol; 3-nitrobenzaldehyde; trifluoride Traditional Name: 4-fluorobenzenethiol; 3-nitrobenzaldehyde; trifluoride Formula: C13H10F4NO3S-3 MolecularWeight: 336.282013

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)[N+](=O)[O-])C=O.C1=CC(=CC=C1F)S.[F-].[F-].[F-]

Isomeric SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])C=O.C1=CC(=CC=C1F)S.[F-].[F-].[F-]

InChI

InChI=1S/C7H5NO3.C6H5FS.3FH/c9-5-6-2-1-3-7(4-6)8(10)11;7-5-1-3-6(8)4-2-5;;;/h1-5H;1-4,8H;3*1H/p-3