4-hexylsulfanylisoindole-1,3-dione

Systemtic Name: 4-hexylsulfanylisoindole-1,3-dione Openeye Name: 4-hexylsulfanylisoindoline-1,3-dione CAS Name: 4-(hexylthio)isoindole-1,3-dione IUPAC Name: 4-hexylsulfanylisoindole-1,3-dione Traditional Name: 4-(hexylthio)isoindoline-1,3-quinone Formula: C14H17NO2S MolecularWeight: 263.35528

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCSC1=CC=CC2=C1C(=O)NC2=O

Isomeric SMILES

CCCCCCSC1=CC=CC2=C1C(=O)NC2=O

InChI

InChI=1S/C14H17NO2S/c1-2-3-4-5-9-18-11-8-6-7-10-12(11)14(17)15-13(10)16/h6-8H,2-5,9H2,1H3,(H,15,16,17)