4-octylsulfanylisoindole-1,3-dione

Systemtic Name: 4-octylsulfanylisoindole-1,3-dione Openeye Name: 4-octylsulfanylisoindoline-1,3-dione CAS Name: 4-(octylthio)isoindole-1,3-dione IUPAC Name: 4-octylsulfanylisoindole-1,3-dione Traditional Name: 4-(octylthio)isoindoline-1,3-quinone Formula: C16H21NO2S MolecularWeight: 291.40844

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCSC1=CC=CC2=C1C(=O)NC2=O

Isomeric SMILES

CCCCCCCCSC1=CC=CC2=C1C(=O)NC2=O

InChI

InChI=1S/C16H21NO2S/c1-2-3-4-5-6-7-11-20-13-10-8-9-12-14(13)16(19)17-15(12)18/h8-10H,2-7,11H2,1H3,(H,17,18,19)