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1,3,7-trinitrodibenzothiophene

1,3,7-trinitrodibenzothiophene

Systemtic Name:1,3,7-trinitrodibenzothiophene
Openeye Name:1,3,7-trinitrodibenzothiophene
CAS Name:1,3,7-trinitrodibenzothiophene
IUPAC Name:1,3,7-trinitrodibenzothiophene
Traditional Name:1,3,7-trinitrodibenzothiophene
Formula: C12H5N3O6S
MolecularWeight: 319.2496
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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1[N+](=O)[O-])SC3=CC(=CC(=C23)[N+](=O)[O-])[N+](=O)[O-]


Isomeric SMILES

C1=CC2=C(C=C1[N+](=O)[O-])SC3=CC(=CC(=C23)[N+](=O)[O-])[N+](=O)[O-]


InChI

InChI=1S/C12H5N3O6S/c16-13(17)6-1-2-8-10(4-6)22-11-5-7(14(18)19)3-9(12(8)11)15(20)21/h1-5H


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