3-nitro-5-(sulfanylmethyl)benzene-1,2-diol

Systemtic Name: 3-nitro-5-(sulfanylmethyl)benzene-1,2-diol Openeye Name: 3-nitro-5-(sulfanylmethyl)benzene-1,2-diol CAS Name: 5-(mercaptomethyl)-3-nitrobenzene-1,2-diol IUPAC Name: 3-nitro-5-(sulfanylmethyl)benzene-1,2-diol Traditional Name: 5-(mercaptomethyl)-3-nitro-pyrocatechol Formula: C7H7NO4S MolecularWeight: 201.19978

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C7H7NO4S/c9-6-2-4(3-13)1-5(7(6)10)8(11)12/h1-2,9-10,13H,3H2