2-azanyl-6-methylsulfanyl-1-phenyl-hexane-3,4-diol; 2,2,2-tris(fluoranyl)ethanoic acid

Systemtic Name: 2-azanyl-6-methylsulfanyl-1-phenyl-hexane-3,4-diol; 2,2,2-tris(fluoranyl)ethanoic acid Openeye Name: 2-amino-6-methylsulfanyl-1-phenyl-hexane-3,4-diol; 2,2,2-trifluoroacetic acid CAS Name: 2-amino-6-(methylthio)-1-phenylhexane-3,4-diol; 2,2,2-trifluoroacetic acid IUPAC Name: 2-amino-6-methylsulfanyl-1-phenylhexane-3,4-diol; 2,2,2-trifluoroacetic acid Traditional Name: 2-amino-6-(methylthio)-1-phenyl-hexane-3,4-diol; 2,2,2-trifluoroacetic acid Formula: C15H22F3NO4S MolecularWeight: 369.39969

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(C(CC1=CC=CC=C1)N)O)O.C(=O)(C(F)(F)F)O

Isomeric SMILES

CSCCC(C(C(CC1=CC=CC=C1)N)O)O.C(=O)(C(F)(F)F)O

InChI

InChI=1S/C13H21NO2S.C2HF3O2/c1-17-8-7-12(15)13(16)11(14)9-10-5-3-2-4-6-10;3-2(4,5)1(6)7/h2-6,11-13,15-16H,7-9,14H2,1H3;(H,6,7)