ethyl 2-(1,3-benzothiazol-3-ium-3-yl)ethanoate perchlorate

Systemtic Name: ethyl 2-(1,3-benzothiazol-3-ium-3-yl)ethanoate perchlorate Openeye Name: ethyl 2-(1,3-benzothiazol-3-ium-3-yl)acetate perchlorate CAS Name: 2-(1,3-benzothiazol-3-ium-3-yl)acetic acid ethyl ester perchlorate IUPAC Name: ethyl 2-(1,3-benzothiazol-3-ium-3-yl)acetate perchlorate Traditional Name: 2-(1,3-benzothiazol-3-ium-3-yl)acetic acid ethyl ester perchlorate Formula: C11H12ClNO6S MolecularWeight: 321.73408

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C[N+]1=CSC2=CC=CC=C21.[O-]Cl(=O)(=O)=O

Isomeric SMILES

CCOC(=O)C[N+]1=CSC2=CC=CC=C21.[O-]Cl(=O)(=O)=O

InChI

InChI=1S/C11H12NO2S.ClHO4/c1-2-14-11(13)7-12-8-15-10-6-4-3-5-9(10)12;2-1(3,4)5/h3-6,8H,2,7H2,1H3;(H,2,3,4,5)/q+1;/p-1