1,3,5-trinitro-2-(2,4,6-trinitrophenyl)sulfanyl-benzene

Systemtic Name: 1,3,5-trinitro-2-(2,4,6-trinitrophenyl)sulfanyl-benzene Openeye Name: 1,3,5-trinitro-2-(2,4,6-trinitrophenyl)sulfanyl-benzene CAS Name: 1,3,5-trinitro-2-[(2,4,6-trinitrophenyl)thio]benzene IUPAC Name: 1,3,5-trinitro-2-(2,4,6-trinitrophenyl)sulfanylbenzene Traditional Name: 1,3,5-trinitro-2-(picrylthio)benzene Formula: C12H4N6O12S MolecularWeight: 456.25816

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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+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C12H4N6O12S/c19-13(20)5-1-7(15(23)24)11(8(2-5)16(25)26)31-12-9(17(27)28)3-6(14(21)22)4-10(12)18(29)30/h1-4H