2-[2,4-bis(oxidanylidene)pentan-3-ylsulfanyl]isoindole-1,3-dione

Systemtic Name: 2-[2,4-bis(oxidanylidene)pentan-3-ylsulfanyl]isoindole-1,3-dione Openeye Name: 2-(1-acetyl-2-oxo-propyl)sulfanylisoindoline-1,3-dione CAS Name: 2-(2,4-dioxopentan-3-ylthio)isoindole-1,3-dione IUPAC Name: 2-(2,4-dioxopentan-3-ylsulfanyl)isoindole-1,3-dione Traditional Name: 2-[(1-acetyl-2-keto-propyl)thio]isoindoline-1,3-quinone Formula: C13H11NO4S MolecularWeight: 277.29574

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(C(=O)C)SN1C(=O)C2=CC=CC=C2C1=O

Isomeric SMILES

CC(=O)C(C(=O)C)SN1C(=O)C2=CC=CC=C2C1=O

InChI

InChI=1S/C13H11NO4S/c1-7(15)11(8(2)16)19-14-12(17)9-5-3-4-6-10(9)13(14)18/h3-6,11H,1-2H3