1,2,3-trinitrothioxanthen-9-one

Systemtic Name: 1,2,3-trinitrothioxanthen-9-one Openeye Name: 1,2,3-trinitrothioxanthen-9-one CAS Name: 1,2,3-trinitro-9-thioxanthenone IUPAC Name: 1,2,3-trinitrothioxanthen-9-one Traditional Name: 1,2,3-trinitrothioxanthen-9-one Formula: C13H5N3O7S MolecularWeight: 347.2597

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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