3-[2,5-bis(azanyl)-4-nitro-phenyl]sulfanylpropane-1,1-diol

Systemtic Name: 3-[2,5-bis(azanyl)-4-nitro-phenyl]sulfanylpropane-1,1-diol Openeye Name: 3-(2,5-diamino-4-nitro-phenyl)sulfanylpropane-1,1-diol CAS Name: 3-[(2,5-diamino-4-nitrophenyl)thio]propane-1,1-diol IUPAC Name: 3-(2,5-diamino-4-nitrophenyl)sulfanylpropane-1,1-diol Traditional Name: 3-[(2,5-diamino-4-nitro-phenyl)thio]propane-1,1-diol Formula: C9H13N3O4S MolecularWeight: 259.28222

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H13N3O4S/c10-5-4-8(17-2-1-9(13)14)6(11)3-7(5)12(15)16/h3-4,9,13-14H,1-2,10-11H2