2-nitro-4-(3-nitro-4-oxidanyl-phenyl)sulfanyl-phenol

Systemtic Name: 2-nitro-4-(3-nitro-4-oxidanyl-phenyl)sulfanyl-phenol Openeye Name: 4-(4-hydroxy-3-nitro-phenyl)sulfanyl-2-nitro-phenol CAS Name: 4-[(4-hydroxy-3-nitrophenyl)thio]-2-nitrophenol IUPAC Name: 4-(4-hydroxy-3-nitrophenyl)sulfanyl-2-nitrophenol Traditional Name: 4-[(4-hydroxy-3-nitro-phenyl)thio]-2-nitro-phenol Formula: C12H8N2O6S MolecularWeight: 308.26672

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1SC2=CC(=C(C=C2)O)[N+](=O)[O-])[N+](=O)[O-])O

Isomeric SMILES

C1=CC(=C(C=C1SC2=CC(=C(C=C2)O)[N+](=O)[O-])[N+](=O)[O-])O

InChI

InChI=1S/C12H8N2O6S/c15-11-3-1-7(5-9(11)13(17)18)21-8-2-4-12(16)10(6-8)14(19)20/h1-6,15-16H