4-nitro-2-[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]sulfanyl-isoindole-1,3-dione

Systemtic Name: 4-nitro-2-[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]sulfanyl-isoindole-1,3-dione Openeye Name: 4-nitro-2-(4-nitro-1,3-dioxo-isoindolin-2-yl)sulfanyl-isoindoline-1,3-dione CAS Name: 4-nitro-2-[(4-nitro-1,3-dioxo-2-isoindolyl)thio]isoindole-1,3-dione IUPAC Name: 4-nitro-2-(4-nitro-1,3-dioxoisoindol-2-yl)sulfanylisoindole-1,3-dione Traditional Name: 2-[(1,3-diketo-4-nitro-isoindolin-2-yl)thio]-4-nitro-isoindoline-1,3-quinone Formula: C16H6N4O8S MolecularWeight: 414.30584

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C(=C1)[N+](=O)[O-])C(=O)N(C2=O)SN3C(=O)C4=C(C3=O)C(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC2=C(C(=C1)[N+](=O)[O-])C(=O)N(C2=O)SN3C(=O)C4=C(C3=O)C(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C16H6N4O8S/c21-13-7-3-1-5-9(19(25)26)11(7)15(23)17(13)29-18-14(22)8-4-2-6-10(20(27)28)12(8)16(18)24/h1-6H