4-nitro-N-[4-nitro-2-(trichloromethyl)phenyl]sulfanyl-aniline

Systemtic Name: 4-nitro-N-[4-nitro-2-(trichloromethyl)phenyl]sulfanyl-aniline Openeye Name: 4-nitro-N-[4-nitro-2-(trichloromethyl)phenyl]sulfanyl-aniline CAS Name: 4-nitro-N-(4-nitrophenyl)-2-(trichloromethyl)benzenesulfenamide IUPAC Name: 4-nitro-N-[4-nitro-2-(trichloromethyl)phenyl]sulfanylaniline Traditional Name: (4-nitrophenyl)-[[4-nitro-2-(trichloromethyl)phenyl]thio]amine Formula: C13H8Cl3N3O4S MolecularWeight: 408.64432

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NSC2=C(C=C(C=C2)[N+](=O)[O-])C(Cl)(Cl)Cl)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1NSC2=C(C=C(C=C2)[N+](=O)[O-])C(Cl)(Cl)Cl)[N+](=O)[O-]

InChI

InChI=1S/C13H8Cl3N3O4S/c14-13(15,16)11-7-10(19(22)23)5-6-12(11)24-17-8-1-3-9(4-2-8)18(20)21/h1-7,17H