3-nitro-10,10-bis(oxidanylidene)thioxanthen-9-one

Systemtic Name: 3-nitro-10,10-bis(oxidanylidene)thioxanthen-9-one Openeye Name: 3-nitro-10,10-dioxo-thioxanthen-9-one CAS Name: 3-nitro-10,10-dioxo-9-thioxanthenone IUPAC Name: 3-nitro-10,10-dioxothioxanthen-9-one Traditional Name: 10,10-diketo-3-nitro-thioxanthen-9-one Formula: C13H7NO5S MolecularWeight: 289.26338

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H7NO5S/c15-13-9-3-1-2-4-11(9)20(18,19)12-7-8(14(16)17)5-6-10(12)13/h1-7H