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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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