bis[4-(2-hydroxyethylsulfanyl)-3-nitro-phenyl]methanone

Systemtic Name: bis[4-(2-hydroxyethylsulfanyl)-3-nitro-phenyl]methanone Openeye Name: bis[4-(2-hydroxyethylsulfanyl)-3-nitro-phenyl]methanone CAS Name: bis[4-(2-hydroxyethylthio)-3-nitrophenyl]methanone IUPAC Name: bis[4-(2-hydroxyethylsulfanyl)-3-nitrophenyl]methanone Traditional Name: bis[4-(2-hydroxyethylthio)-3-nitro-phenyl]methanone Formula: C17H16N2O7S2 MolecularWeight: 424.44814

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C(=O)C2=CC(=C(C=C2)SCCO)[N+](=O)[O-])[N+](=O)[O-])SCCO

Isomeric SMILES

C1=CC(=C(C=C1C(=O)C2=CC(=C(C=C2)SCCO)[N+](=O)[O-])[N+](=O)[O-])SCCO

InChI

InChI=1S/C17H16N2O7S2/c20-5-7-27-15-3-1-11(9-13(15)18(23)24)17(22)12-2-4-16(28-8-6-21)14(10-12)19(25)26/h1-4,9-10,20-21H,5-8H2