S-pyrrolidin-3-yl benzenecarbothioate; 2,2,2-tris(fluoranyl)ethanoic acid

Systemtic Name: S-pyrrolidin-3-yl benzenecarbothioate; 2,2,2-tris(fluoranyl)ethanoic acid Openeye Name: S-pyrrolidin-3-yl benzenecarbothioate; 2,2,2-trifluoroacetic acid CAS Name: benzenecarbothioic acid S-(3-pyrrolidinyl) ester; 2,2,2-trifluoroacetic acid IUPAC Name: S-pyrrolidin-3-yl benzenecarbothioate; 2,2,2-trifluoroacetic acid Traditional Name: thiobenzoic acid S-pyrrolidin-3-yl ester; 2,2,2-trifluoroacetic acid Formula: C13H14F3NO3S MolecularWeight: 321.31537

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCC1SC(=O)C2=CC=CC=C2.C(=O)(C(F)(F)F)O

Isomeric SMILES

C1CNCC1SC(=O)C2=CC=CC=C2.C(=O)(C(F)(F)F)O

InChI

InChI=1S/C11H13NOS.C2HF3O2/c13-11(9-4-2-1-3-5-9)14-10-6-7-12-8-10;3-2(4,5)1(6)7/h1-5,10,12H,6-8H2;(H,6,7)