1,5,7-trinitrothioxanthen-9-one

Systemtic Name: 1,5,7-trinitrothioxanthen-9-one Openeye Name: 1,5,7-trinitrothioxanthen-9-one CAS Name: 1,5,7-trinitro-9-thioxanthenone IUPAC Name: 1,5,7-trinitrothioxanthen-9-one Traditional Name: 1,5,7-trinitrothioxanthen-9-one Formula: C13H5N3O7S MolecularWeight: 347.2597

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C2C(=C1)SC3=C(C=C(C=C3C2=O)[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC(=C2C(=C1)SC3=C(C=C(C=C3C2=O)[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C13H5N3O7S/c17-12-7-4-6(14(18)19)5-9(16(22)23)13(7)24-10-3-1-2-8(11(10)12)15(20)21/h1-5H