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

Systemtic Name: prop-2-enyl 2-(1,3-benzothiazol-3-ium-3-yl)ethanoate tetrafluoroborate Openeye Name: allyl 2-(1,3-benzothiazol-3-ium-3-yl)acetate tetrafluoroborate CAS Name: 2-(1,3-benzothiazol-3-ium-3-yl)acetic acid prop-2-enyl ester tetrafluoroborate IUPAC Name: prop-2-enyl 2-(1,3-benzothiazol-3-ium-3-yl)acetate tetrafluoroborate Traditional Name: 2-(1,3-benzothiazol-3-ium-3-yl)acetic acid allyl ester tetrafluoroborate Formula: C12H12BF4NO2S MolecularWeight: 321.098793

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H12NO2S.BF4/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;/q+1;-1