4-pyrrolidin-3-ylsulfanylphenol; 2,2,2-tris(fluoranyl)ethanoic acid

Systemtic Name: 4-pyrrolidin-3-ylsulfanylphenol; 2,2,2-tris(fluoranyl)ethanoic acid Openeye Name: 4-pyrrolidin-3-ylsulfanylphenol; 2,2,2-trifluoroacetic acid CAS Name: 4-(3-pyrrolidinylthio)phenol; 2,2,2-trifluoroacetic acid IUPAC Name: 4-pyrrolidin-3-ylsulfanylphenol; 2,2,2-trifluoroacetic acid Traditional Name: 4-(pyrrolidin-3-ylthio)phenol; 2,2,2-trifluoroacetic acid Formula: C12H14F3NO3S MolecularWeight: 309.30467

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCC1SC2=CC=C(C=C2)O.C(=O)(C(F)(F)F)O

Isomeric SMILES

C1CNCC1SC2=CC=C(C=C2)O.C(=O)(C(F)(F)F)O

InChI

InChI=1S/C10H13NOS.C2HF3O2/c12-8-1-3-9(4-2-8)13-10-5-6-11-7-10;3-2(4,5)1(6)7/h1-4,10-12H,5-7H2;(H,6,7)