3-ethyl-2-ethylsulfanyl-1,3-benzothiazol-3-ium; ethyl sulfate

Systemtic Name: 3-ethyl-2-ethylsulfanyl-1,3-benzothiazol-3-ium; ethyl sulfate Openeye Name: 3-ethyl-2-ethylsulfanyl-1,3-benzothiazol-3-ium; ethyl sulfate CAS Name: 3-ethyl-2-(ethylthio)-1,3-benzothiazol-3-ium; ethyl sulfate IUPAC Name: 3-ethyl-2-ethylsulfanyl-1,3-benzothiazol-3-ium; ethyl sulfate Traditional Name: 3-ethyl-2-(ethylthio)-1,3-benzothiazol-3-ium; ethyl sulfate Formula: C13H19NO4S3 MolecularWeight: 349.48926

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1=C(SC2=CC=CC=C21)SCC.CCOS(=O)(=O)[O-]

Isomeric SMILES

CC[N+]1=C(SC2=CC=CC=C21)SCC.CCOS(=O)(=O)[O-]

InChI

InChI=1S/C11H14NS2.C2H6O4S/c1-3-12-9-7-5-6-8-10(9)14-11(12)13-4-2;1-2-6-7(3,4)5/h5-8H,3-4H2,1-2H3;2H2,1H3,(H,3,4,5)/q+1;/p-1