bis(3-nitro-4-sulfanyl-phenyl)methanone; ethanol

Systemtic Name: bis(3-nitro-4-sulfanyl-phenyl)methanone; ethanol Openeye Name: bis(3-nitro-4-sulfanyl-phenyl)methanone; ethanol CAS Name: bis(4-mercapto-3-nitrophenyl)methanone; ethanol IUPAC Name: bis(3-nitro-4-sulfanylphenyl)methanone; ethanol Traditional Name: bis(4-mercapto-3-nitro-phenyl)methanone; ethanol Formula: C15H14N2O6S2 MolecularWeight: 382.41146

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCO.C1=CC(=C(C=C1C(=O)C2=CC(=C(C=C2)S)[N+](=O)[O-])[N+](=O)[O-])S

Isomeric SMILES

CCO.C1=CC(=C(C=C1C(=O)C2=CC(=C(C=C2)S)[N+](=O)[O-])[N+](=O)[O-])S

InChI

InChI=1S/C13H8N2O5S2.C2H6O/c16-13(7-1-3-11(21)9(5-7)14(17)18)8-2-4-12(22)10(6-8)15(19)20;1-2-3/h1-6,21-22H;3H,2H2,1H3