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5-azanyl-2-[1,1,1,3,3,3-hexakis(fluoranyl)-2-oxidanyl-propan-2-yl]benzoic acid

5-azanyl-2-[1,1,1,3,3,3-hexakis(fluoranyl)-2-oxidanyl-propan-2-yl]benzoic acid

Systemtic Name:5-azanyl-2-[1,1,1,3,3,3-hexakis(fluoranyl)-2-oxidanyl-propan-2-yl]benzoic acid
Openeye Name:5-amino-2-[2,2,2-trifluoro-1-hydroxy-1-(trifluoromethyl)ethyl]benzoic acid
CAS Name:5-amino-2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)benzoic acid
IUPAC Name:5-amino-2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)benzoic acid
Traditional Name:5-amino-2-[2,2,2-trifluoro-1-hydroxy-1-(trifluoromethyl)ethyl]benzoic acid
Formula: C10H7F6NO3
MolecularWeight: 303.157899
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/C10H7F6NO3/c11-9(12,13)8(20,10(14,15)16)6-2-1-4(17)3-5(6)7(18)19/h1-3,20H,17H2,(H,18,19)


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Name: 5-azanyl-2-[1,1,1,3,3,3-hexakis(fluoranyl)-2-oxidanyl-propan-2-yl]benzoic acid

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