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1-ethyl-2-ethylsulfanyl-benzo[e][1,3]benzothiazol-1-ium; ethyl sulfate

1-ethyl-2-ethylsulfanyl-benzo[e][1,3]benzothiazol-1-ium; ethyl sulfate

Systemtic Name:1-ethyl-2-ethylsulfanyl-benzo[e][1,3]benzothiazol-1-ium; ethyl sulfate
Openeye Name:1-ethyl-2-ethylsulfanyl-benzo[e][1,3]benzothiazol-1-ium; ethyl sulfate
CAS Name:1-ethyl-2-(ethylthio)benzo[e][1,3]benzothiazol-1-ium; ethyl sulfate
IUPAC Name:1-ethyl-2-ethylsulfanylbenzo[e][1,3]benzothiazol-1-ium; ethyl sulfate
Traditional Name:1-ethyl-2-(ethylthio)benzo[e][1,3]benzothiazol-1-ium; ethyl sulfate
Formula: C17H21NO4S3
MolecularWeight: 399.54794
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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1=C(SC2=C1C3=CC=CC=C3C=C2)SCC.CCOS(=O)(=O)[O-]


Isomeric SMILES

CC[N+]1=C(SC2=C1C3=CC=CC=C3C=C2)SCC.CCOS(=O)(=O)[O-]


InChI

InChI=1S/C15H16NS2.C2H6O4S/c1-3-16-14-12-8-6-5-7-11(12)9-10-13(14)18-15(16)17-4-2;1-2-6-7(3,4)5/h5-10H,3-4H2,1-2H3;2H2,1H3,(H,3,4,5)/q+1;/p-1


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