2-[4-methyl-2,5-bis(oxidanylidene)hexyl]-4-methylsulfanyl-isoindole-1,3-dione

Systemtic Name: 2-[4-methyl-2,5-bis(oxidanylidene)hexyl]-4-methylsulfanyl-isoindole-1,3-dione Openeye Name: 2-(4-methyl-2,5-dioxo-hexyl)-4-methylsulfanyl-isoindoline-1,3-dione CAS Name: 2-(4-methyl-2,5-dioxohexyl)-4-(methylthio)isoindole-1,3-dione IUPAC Name: 2-(4-methyl-2,5-dioxohexyl)-4-methylsulfanylisoindole-1,3-dione Traditional Name: 2-(2,5-diketo-4-methyl-hexyl)-4-(methylthio)isoindoline-1,3-quinone Formula: C16H17NO4S MolecularWeight: 319.37548

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)CN1C(=O)C2=C(C1=O)C(=CC=C2)SC)C(=O)C

Isomeric SMILES

CC(CC(=O)CN1C(=O)C2=C(C1=O)C(=CC=C2)SC)C(=O)C

InChI

InChI=1S/C16H17NO4S/c1-9(10(2)18)7-11(19)8-17-15(20)12-5-4-6-13(22-3)14(12)16(17)21/h4-6,9H,7-8H2,1-3H3