1,2-dinitrodibenzothiophene 5,5-dioxide

Systemtic Name: 1,2-dinitrodibenzothiophene 5,5-dioxide Openeye Name: 1,2-dinitrodibenzothiophene 5,5-dioxide CAS Name: 1,2-dinitrodibenzothiophene 5,5-dioxide IUPAC Name: 1,2-dinitrodibenzothiophene 5,5-dioxide Traditional Name: 1,2-dinitrodibenzothiophene 5,5-dioxide Formula: C12H6N2O6S MolecularWeight: 306.25084

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C3=C(S2(=O)=O)C=CC(=C3[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C3=C(S2(=O)=O)C=CC(=C3[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C12H6N2O6S/c15-13(16)8-5-6-10-11(12(8)14(17)18)7-3-1-2-4-9(7)21(10,19)20/h1-6H