2-octylsulfonylisoindole-1,3-dione

Systemtic Name: 2-octylsulfonylisoindole-1,3-dione Openeye Name: 2-octylsulfonylisoindoline-1,3-dione CAS Name: 2-octylsulfonylisoindole-1,3-dione IUPAC Name: 2-octylsulfonylisoindole-1,3-dione Traditional Name: 2-octylsulfonylisoindoline-1,3-quinone Formula: C16H21NO4S MolecularWeight: 323.40724

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCS(=O)(=O)N1C(=O)C2=CC=CC=C2C1=O

Isomeric SMILES

CCCCCCCCS(=O)(=O)N1C(=O)C2=CC=CC=C2C1=O

InChI

InChI=1S/C16H21NO4S/c1-2-3-4-5-6-9-12-22(20,21)17-15(18)13-10-7-8-11-14(13)16(17)19/h7-8,10-11H,2-6,9,12H2,1H3