2-acetamido-2-[3,5-bis(trifluoromethyl)phenyl]ethanesulfonic acid

Systemtic Name: 2-acetamido-2-[3,5-bis(trifluoromethyl)phenyl]ethanesulfonic acid Openeye Name: 2-acetamido-2-[3,5-bis(trifluoromethyl)phenyl]ethanesulfonic acid CAS Name: 2-acetamido-2-[3,5-bis(trifluoromethyl)phenyl]ethanesulfonic acid IUPAC Name: 2-acetamido-2-[3,5-bis(trifluoromethyl)phenyl]ethanesulfonic acid Traditional Name: 2-acetamido-2-[3,5-bis(trifluoromethyl)phenyl]ethanesulfonic acid Formula: C12H11F6NO4S MolecularWeight: 379.275459

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CS(=O)(=O)O)C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F

Isomeric SMILES

CC(=O)NC(CS(=O)(=O)O)C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F

InChI

InChI=1S/C12H11F6NO4S/c1-6(20)19-10(5-24(21,22)23)7-2-8(11(13,14)15)4-9(3-7)12(16,17)18/h2-4,10H,5H2,1H3,(H,19,20)(H,21,22,23)