[3,4-bis(azanyl)phenyl] 3,5-bis(trifluoromethyl)benzenesulfonate

Systemtic Name: [3,4-bis(azanyl)phenyl] 3,5-bis(trifluoromethyl)benzenesulfonate Openeye Name: (3,4-diaminophenyl) 3,5-bis(trifluoromethyl)benzenesulfonate CAS Name: 3,5-bis(trifluoromethyl)benzenesulfonic acid (3,4-diaminophenyl) ester IUPAC Name: (3,4-diaminophenyl) 3,5-bis(trifluoromethyl)benzenesulfonate Traditional Name: 3,5-bis(trifluoromethyl)benzenesulfonic acid (3,4-diaminophenyl) ester Formula: C14H10F6N2O3S MolecularWeight: 400.296219

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1OS(=O)(=O)C2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)N)N

Isomeric SMILES

C1=CC(=C(C=C1OS(=O)(=O)C2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)N)N

InChI

InChI=1S/C14H10F6N2O3S/c15-13(16,17)7-3-8(14(18,19)20)5-10(4-7)26(23,24)25-9-1-2-11(21)12(22)6-9/h1-6H,21-22H2