2-(2,4-dinitrophenyl)ethanethioate; 2-hydroxyethylazanium

Systemtic Name: 2-(2,4-dinitrophenyl)ethanethioate; 2-hydroxyethylazanium Openeye Name: 2-(2,4-dinitrophenyl)ethanethioate; 2-hydroxyethylammonium CAS Name: 2-(2,4-dinitrophenyl)ethanethioate; 2-hydroxyethylammonium IUPAC Name: 2-(2,4-dinitrophenyl)ethanethioate; 2-hydroxyethylazanium Traditional Name: 2-(2,4-dinitrophenyl)thioacetate; 2-hydroxyethylammonium Formula: C10H13N3O6S MolecularWeight: 303.29172

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])CC(=S)[O-].C(CO)[NH3+]

Isomeric SMILES

C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])CC(=S)[O-].C(CO)[NH3+]

InChI

InChI=1S/C8H6N2O5S.C2H7NO/c11-8(16)3-5-1-2-6(9(12)13)4-7(5)10(14)15;3-1-2-4/h1-2,4H,3H2,(H,11,16);4H,1-3H2