5-nitro-2-[5-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]sulfanyl-isoindole-1,3-dione

Systemtic Name: 5-nitro-2-[5-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]sulfanyl-isoindole-1,3-dione Openeye Name: 5-nitro-2-(5-nitro-1,3-dioxo-isoindolin-2-yl)sulfanyl-isoindoline-1,3-dione CAS Name: 5-nitro-2-[(5-nitro-1,3-dioxo-2-isoindolyl)thio]isoindole-1,3-dione IUPAC Name: 5-nitro-2-(5-nitro-1,3-dioxoisoindol-2-yl)sulfanylisoindole-1,3-dione Traditional Name: 2-[(1,3-diketo-5-nitro-isoindolin-2-yl)thio]-5-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=C(C=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=C(C=C4)[N+](=O)[O-]

InChI

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