1,3,7-trinitrodibenzothiophene 5,5-dioxide

Systemtic Name: 1,3,7-trinitrodibenzothiophene 5,5-dioxide Openeye Name: 1,3,7-trinitrodibenzothiophene 5,5-dioxide CAS Name: 1,3,7-trinitrodibenzothiophene 5,5-dioxide IUPAC Name: 1,3,7-trinitrodibenzothiophene 5,5-dioxide Traditional Name: 1,3,7-trinitrodibenzothiophene 5,5-dioxide Formula: C12H5N3O8S MolecularWeight: 351.2484

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1[N+](=O)[O-])S(=O)(=O)C3=CC(=CC(=C23)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC2=C(C=C1[N+](=O)[O-])S(=O)(=O)C3=CC(=CC(=C23)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C12H5N3O8S/c16-13(17)6-1-2-8-10(4-6)24(22,23)11-5-7(14(18)19)3-9(12(8)11)15(20)21/h1-5H