1-ethylsulfanyl-2-[5-nitro-6-(trifluoromethyl)-1-benzofuran-2-yl]propan-2-ol

Systemtic Name: 1-ethylsulfanyl-2-[5-nitro-6-(trifluoromethyl)-1-benzofuran-2-yl]propan-2-ol Openeye Name: 1-ethylsulfanyl-2-[5-nitro-6-(trifluoromethyl)benzofuran-2-yl]propan-2-ol CAS Name: 1-(ethylthio)-2-[5-nitro-6-(trifluoromethyl)-2-benzofuranyl]-2-propanol IUPAC Name: 1-ethylsulfanyl-2-[5-nitro-6-(trifluoromethyl)-1-benzofuran-2-yl]propan-2-ol Traditional Name: 1-(ethylthio)-2-[5-nitro-6-(trifluoromethyl)benzofuran-2-yl]propan-2-ol Formula: C14H14F3NO4S MolecularWeight: 349.32547

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Descriptors Computed from Structure

Canonical SMILES:

CCSCC(C)(C1=CC2=CC(=C(C=C2O1)C(F)(F)F)[N+](=O)[O-])O

Isomeric SMILES

CCSCC(C)(C1=CC2=CC(=C(C=C2O1)C(F)(F)F)[N+](=O)[O-])O

InChI

InChI=1S/C14H14F3NO4S/c1-3-23-7-13(2,19)12-5-8-4-10(18(20)21)9(14(15,16)17)6-11(8)22-12/h4-6,19H,3,7H2,1-2H3