2-octylsulfanylisoindole-1,3-dione

Systemtic Name: 2-octylsulfanylisoindole-1,3-dione Openeye Name: 2-octylsulfanylisoindoline-1,3-dione CAS Name: 2-(octylthio)isoindole-1,3-dione IUPAC Name: 2-octylsulfanylisoindole-1,3-dione Traditional Name: 2-(octylthio)isoindoline-1,3-quinone Formula: C16H21NO2S MolecularWeight: 291.40844

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCSN1C(=O)C2=CC=CC=C2C1=O

Isomeric SMILES

CCCCCCCCSN1C(=O)C2=CC=CC=C2C1=O

InChI

InChI=1S/C16H21NO2S/c1-2-3-4-5-6-9-12-20-17-15(18)13-10-7-8-11-14(13)16(17)19/h7-8,10-11H,2-6,9,12H2,1H3