1-[2-(2-hydroxyethyl)-5-nitro-3-sulfanyl-phenyl]sulfonylethanol

Systemtic Name: 1-[2-(2-hydroxyethyl)-5-nitro-3-sulfanyl-phenyl]sulfonylethanol Openeye Name: 1-[2-(2-hydroxyethyl)-5-nitro-3-sulfanyl-phenyl]sulfonylethanol CAS Name: 1-[2-(2-hydroxyethyl)-3-mercapto-5-nitrophenyl]sulfonylethanol IUPAC Name: 1-[2-(2-hydroxyethyl)-5-nitro-3-sulfanylphenyl]sulfonylethanol Traditional Name: 1-[2-(2-hydroxyethyl)-3-mercapto-5-nitro-phenyl]sulfonylethanol Formula: C10H13NO6S2 MolecularWeight: 307.34332

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Descriptors Computed from Structure

Canonical SMILES:

CC(O)S(=O)(=O)C1=CC(=CC(=C1CCO)S)[N+](=O)[O-]

Isomeric SMILES

CC(O)S(=O)(=O)C1=CC(=CC(=C1CCO)S)[N+](=O)[O-]

InChI

InChI=1S/C10H13NO6S2/c1-6(13)19(16,17)10-5-7(11(14)15)4-9(18)8(10)2-3-12/h4-6,12-13,18H,2-3H2,1H3