2-nitro-4-[[2-propoxy-5-(trifluoromethyl)phenyl]sulfamoyl]phenolate

Systemtic Name: 2-nitro-4-[[2-propoxy-5-(trifluoromethyl)phenyl]sulfamoyl]phenolate Openeye Name: 2-nitro-4-[[2-propoxy-5-(trifluoromethyl)phenyl]sulfamoyl]phenolate CAS Name: 2-nitro-4-[[2-propoxy-5-(trifluoromethyl)phenyl]sulfamoyl]phenolate IUPAC Name: 2-nitro-4-[[2-propoxy-5-(trifluoromethyl)phenyl]sulfamoyl]phenolate Traditional Name: 2-nitro-4-[[2-propoxy-5-(trifluoromethyl)phenyl]sulfamoyl]phenolate Formula: C16H14F3N2O6S- MolecularWeight: 419.35237

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)C(F)(F)F)NS(=O)(=O)C2=CC(=C(C=C2)[O-])[N+](=O)[O-]

Isomeric SMILES

CCCOC1=C(C=C(C=C1)C(F)(F)F)NS(=O)(=O)C2=CC(=C(C=C2)[O-])[N+](=O)[O-]

InChI

InChI=1S/C16H15F3N2O6S/c1-2-7-27-15-6-3-10(16(17,18)19)8-12(15)20-28(25,26)11-4-5-14(22)13(9-11)21(23)24/h3-6,8-9,20,22H,2,7H2,1H3/p-1