3-[(5-nitro-2-oxidanyl-phenyl)methylsulfanyl]propane-1,2-diol

Systemtic Name: 3-[(5-nitro-2-oxidanyl-phenyl)methylsulfanyl]propane-1,2-diol Openeye Name: 3-[(2-hydroxy-5-nitro-phenyl)methylsulfanyl]propane-1,2-diol CAS Name: 3-[(2-hydroxy-5-nitrophenyl)methylthio]propane-1,2-diol IUPAC Name: 3-[(2-hydroxy-5-nitrophenyl)methylsulfanyl]propane-1,2-diol Traditional Name: 3-[(2-hydroxy-5-nitro-benzyl)thio]propane-1,2-diol Formula: C10H13NO5S MolecularWeight: 259.27892

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H13NO5S/c12-4-9(13)6-17-5-7-3-8(11(15)16)1-2-10(7)14/h1-3,9,12-14H,4-6H2