2,4,7-trinitrothioxanthen-9-one

Systemtic Name: 2,4,7-trinitrothioxanthen-9-one Openeye Name: 2,4,7-trinitrothioxanthen-9-one CAS Name: 2,4,7-trinitro-9-thioxanthenone IUPAC Name: 2,4,7-trinitrothioxanthen-9-one Traditional Name: 2,4,7-trinitrothioxanthen-9-one Formula: C13H5N3O7S MolecularWeight: 347.2597

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1[N+](=O)[O-])C(=O)C3=CC(=CC(=C3S2)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC2=C(C=C1[N+](=O)[O-])C(=O)C3=CC(=CC(=C3S2)[N+](=O)[O-])[N+](=O)[O-]

InChI

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