2-[[4-(2-hydroxyethylsulfanylmethyl)-3,5-dinitro-phenyl]methylsulfanyl]ethanol

Systemtic Name: 2-[[4-(2-hydroxyethylsulfanylmethyl)-3,5-dinitro-phenyl]methylsulfanyl]ethanol Openeye Name: 2-[[4-(2-hydroxyethylsulfanylmethyl)-3,5-dinitro-phenyl]methylsulfanyl]ethanol CAS Name: 2-[[4-[(2-hydroxyethylthio)methyl]-3,5-dinitrophenyl]methylthio]ethanol IUPAC Name: 2-[[4-(2-hydroxyethylsulfanylmethyl)-3,5-dinitrophenyl]methylsulfanyl]ethanol Traditional Name: 2-[[4-[(2-hydroxyethylthio)methyl]-3,5-dinitro-benzyl]thio]ethanol Formula: C12H16N2O6S2 MolecularWeight: 348.39524

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C(=C1[N+](=O)[O-])CSCCO)[N+](=O)[O-])CSCCO

Isomeric SMILES

C1=C(C=C(C(=C1[N+](=O)[O-])CSCCO)[N+](=O)[O-])CSCCO

InChI

InChI=1S/C12H16N2O6S2/c15-1-3-21-7-9-5-11(13(17)18)10(8-22-4-2-16)12(6-9)14(19)20/h5-6,15-16H,1-4,7-8H2