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

Systemtic Name: prop-2-enyl 2-(1,3-benzothiazol-3-ium-3-yl)ethanoate perchlorate Openeye Name: allyl 2-(1,3-benzothiazol-3-ium-3-yl)acetate perchlorate CAS Name: 2-(1,3-benzothiazol-3-ium-3-yl)acetic acid prop-2-enyl ester perchlorate IUPAC Name: prop-2-enyl 2-(1,3-benzothiazol-3-ium-3-yl)acetate perchlorate Traditional Name: 2-(1,3-benzothiazol-3-ium-3-yl)acetic acid allyl ester perchlorate Formula: C12H12ClNO6S MolecularWeight: 333.74478

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H12NO2S.ClHO4/c1-2-7-15-12(14)8-13-9-16-11-6-4-3-5-10(11)13;2-1(3,4)5/h2-6,9H,1,7-8H2;(H,2,3,4,5)/q+1;/p-1