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1,5,7-trinitro-9H-thioxanthene

1,5,7-trinitro-9H-thioxanthene

Systemtic Name:1,5,7-trinitro-9H-thioxanthene
Openeye Name:1,5,7-trinitro-9H-thioxanthene
CAS Name:1,5,7-trinitro-9H-thioxanthene
IUPAC Name:1,5,7-trinitro-9H-thioxanthene
Traditional Name:1,5,7-trinitro-9H-thioxanthene
Formula: C13H7N3O6S
MolecularWeight: 333.27618
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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC(=CC(=C2SC3=CC=CC(=C31)[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]


Isomeric SMILES

C1C2=CC(=CC(=C2SC3=CC=CC(=C31)[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]


InChI

InChI=1S/C13H7N3O6S/c17-14(18)8-4-7-5-9-10(15(19)20)2-1-3-12(9)23-13(7)11(6-8)16(21)22/h1-4,6H,5H2


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