1-[5-nitro-2-(1-sulfanylethyl)phenyl]sulfonylethanol

Systemtic Name: 1-[5-nitro-2-(1-sulfanylethyl)phenyl]sulfonylethanol Openeye Name: 1-[5-nitro-2-(1-sulfanylethyl)phenyl]sulfonylethanol CAS Name: 1-[2-(1-mercaptoethyl)-5-nitrophenyl]sulfonylethanol IUPAC Name: 1-[5-nitro-2-(1-sulfanylethyl)phenyl]sulfonylethanol Traditional Name: 1-[2-(1-mercaptoethyl)-5-nitro-phenyl]sulfonylethanol Formula: C10H13NO5S2 MolecularWeight: 291.34392

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H13NO5S2/c1-6(17)9-4-3-8(11(13)14)5-10(9)18(15,16)7(2)12/h3-7,12,17H,1-2H3