3,4-bis(chloranyl)-2-[(2,4,6-trinitrophenyl)amino]benzenethiol

Systemtic Name: 3,4-bis(chloranyl)-2-[(2,4,6-trinitrophenyl)amino]benzenethiol Openeye Name: 3,4-dichloro-2-(2,4,6-trinitroanilino)benzenethiol CAS Name: 3,4-dichloro-2-(2,4,6-trinitroanilino)benzenethiol IUPAC Name: 3,4-dichloro-2-(2,4,6-trinitroanilino)benzenethiol Traditional Name: 3,4-dichloro-2-(2,4,6-trinitroanilino)benzenethiol Formula: C12H6Cl2N4O6S MolecularWeight: 405.17024

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C(=C1S)NC2=C(C=C(C=C2[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])Cl)Cl

Isomeric SMILES

C1=CC(=C(C(=C1S)NC2=C(C=C(C=C2[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])Cl)Cl

InChI

InChI=1S/C12H6Cl2N4O6S/c13-6-1-2-9(25)12(10(6)14)15-11-7(17(21)22)3-5(16(19)20)4-8(11)18(23)24/h1-4,15,25H