3-(3-azanyl-2,4,6-trinitro-phenyl)sulfanyl-2,4,6-trinitro-aniline

Systemtic Name: 3-(3-azanyl-2,4,6-trinitro-phenyl)sulfanyl-2,4,6-trinitro-aniline Openeye Name: 3-(3-amino-2,4,6-trinitro-phenyl)sulfanyl-2,4,6-trinitro-aniline CAS Name: 3-[(3-amino-2,4,6-trinitrophenyl)thio]-2,4,6-trinitroaniline IUPAC Name: 3-(3-amino-2,4,6-trinitrophenyl)sulfanyl-2,4,6-trinitroaniline Traditional Name: [3-[(3-amino-2,4,6-trinitro-phenyl)thio]-2,4,6-trinitro-phenyl]amine Formula: C12H6N8O12S MolecularWeight: 486.28744

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=C(C(=C(C(=C1[N+](=O)[O-])SC2=C(C=C(C(=C2[N+](=O)[O-])N)[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])N)[N+](=O)[O-]

Isomeric SMILES

C1=C(C(=C(C(=C1[N+](=O)[O-])SC2=C(C=C(C(=C2[N+](=O)[O-])N)[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])N)[N+](=O)[O-]

InChI

InChI=1S/C12H6N8O12S/c13-7-3(15(21)22)1-5(17(25)26)11(9(7)19(29)30)33-12-6(18(27)28)2-4(16(23)24)8(14)10(12)20(31)32/h1-2H,13-14H2