3-octylsulfanyl-1,2-benzothiazole 1,1-dioxide

Systemtic Name: 3-octylsulfanyl-1,2-benzothiazole 1,1-dioxide Openeye Name: 3-octylsulfanyl-1,2-benzothiazole 1,1-dioxide CAS Name: 3-(octylthio)-1,2-benzothiazole 1,1-dioxide IUPAC Name: 3-octylsulfanyl-1,2-benzothiazole 1,1-dioxide Traditional Name: 3-(octylthio)-1,2-benzothiazole 1,1-dioxide Formula: C15H21NO2S2 MolecularWeight: 311.46274

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCSC1=NS(=O)(=O)C2=CC=CC=C21

Isomeric SMILES

CCCCCCCCSC1=NS(=O)(=O)C2=CC=CC=C21

InChI

InChI=1S/C15H21NO2S2/c1-2-3-4-5-6-9-12-19-15-13-10-7-8-11-14(13)20(17,18)16-15/h7-8,10-11H,2-6,9,12H2,1H3