4-sulfanyl-2-[[2,4,5-tris(fluoranyl)phenyl]methoxymethyl]pyrrolidine-1-sulfonic acid

Systemtic Name: 4-sulfanyl-2-[[2,4,5-tris(fluoranyl)phenyl]methoxymethyl]pyrrolidine-1-sulfonic acid Openeye Name: 4-sulfanyl-2-[(2,4,5-trifluorophenyl)methoxymethyl]pyrrolidine-1-sulfonic acid CAS Name: 4-mercapto-2-[(2,4,5-trifluorophenyl)methoxymethyl]-1-pyrrolidinesulfonic acid IUPAC Name: 4-sulfanyl-2-[(2,4,5-trifluorophenyl)methoxymethyl]pyrrolidine-1-sulfonic acid Traditional Name: 4-mercapto-2-[(2,4,5-trifluorobenzyl)oxymethyl]pyrrolidine-1-sulfonic acid Formula: C12H14F3NO4S2 MolecularWeight: 357.36907

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CN(C1COCC2=CC(=C(C=C2F)F)F)S(=O)(=O)O)S

Isomeric SMILES

C1C(CN(C1COCC2=CC(=C(C=C2F)F)F)S(=O)(=O)O)S

InChI

InChI=1S/C12H14F3NO4S2/c13-10-3-12(15)11(14)1-7(10)5-20-6-8-2-9(21)4-16(8)22(17,18)19/h1,3,8-9,21H,2,4-6H2,(H,17,18,19)