2,2-dinitroethanethiol

Systemtic Name: 2,2-dinitroethanethiol Openeye Name: 2,2-dinitroethanethiol CAS Name: 2,2-dinitroethanethiol IUPAC Name: 2,2-dinitroethanethiol Traditional Name: 2,2-dinitroethanethiol Formula: C2H4N2O4S MolecularWeight: 152.12916

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C2H4N2O4S/c5-3(6)2(1-9)4(7)8/h2,9H,1H2