4-azanyl-2,5-bis(trifluoromethyl)benzenesulfonic acid

Systemtic Name: 4-azanyl-2,5-bis(trifluoromethyl)benzenesulfonic acid Openeye Name: 4-amino-2,5-bis(trifluoromethyl)benzenesulfonic acid CAS Name: 4-amino-2,5-bis(trifluoromethyl)benzenesulfonic acid IUPAC Name: 4-amino-2,5-bis(trifluoromethyl)benzenesulfonic acid Traditional Name: 4-amino-2,5-bis(trifluoromethyl)besylic acid Formula: C8H5F6NO3S MolecularWeight: 309.185619

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C(=CC(=C1N)C(F)(F)F)S(=O)(=O)O)C(F)(F)F

Isomeric SMILES

C1=C(C(=CC(=C1N)C(F)(F)F)S(=O)(=O)O)C(F)(F)F

InChI

InChI=1S/C8H5F6NO3S/c9-7(10,11)3-2-6(19(16,17)18)4(1-5(3)15)8(12,13)14/h1-2H,15H2,(H,16,17,18)