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2-butylsulfanyl-1,3-benzothiazole-6-sulfinate

2-butylsulfanyl-1,3-benzothiazole-6-sulfinate

Systemtic Name:2-butylsulfanyl-1,3-benzothiazole-6-sulfinate
Openeye Name:2-butylsulfanyl-1,3-benzothiazole-6-sulfinate
CAS Name:2-(butylthio)-1,3-benzothiazole-6-sulfinate
IUPAC Name:2-butylsulfanyl-1,3-benzothiazole-6-sulfinate
Traditional Name:2-(butylthio)-1,3-benzothiazole-6-sulfinate
Formula: C11H12NO2S3-
MolecularWeight: 286.41348
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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=NC2=C(S1)C=C(C=C2)S(=O)[O-]


Isomeric SMILES

CCCCSC1=NC2=C(S1)C=C(C=C2)S(=O)[O-]


InChI

InChI=1S/C11H13NO2S3/c1-2-3-6-15-11-12-9-5-4-8(17(13)14)7-10(9)16-11/h4-5,7H,2-3,6H2,1H3,(H,13,14)/p-1


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