(3-prop-2-enyl-1,3-benzothiazol-3-ium-2-yl)sulfanylmethanoic acid

Systemtic Name: (3-prop-2-enyl-1,3-benzothiazol-3-ium-2-yl)sulfanylmethanoic acid Openeye Name: (3-allyl-1,3-benzothiazol-3-ium-2-yl)sulfanylformic acid CAS Name: [(3-prop-2-enyl-1,3-benzothiazol-3-ium-2-yl)thio]formic acid IUPAC Name: (3-prop-2-enyl-1,3-benzothiazol-3-ium-2-yl)sulfanylformic acid Traditional Name: [(3-allyl-1,3-benzothiazol-3-ium-2-yl)thio]formic acid Formula: C11H10NO2S2+ MolecularWeight: 252.3326

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C=CC[N+]1=C(SC2=CC=CC=C21)SC(=O)O

Isomeric SMILES

C=CC[N+]1=C(SC2=CC=CC=C21)SC(=O)O

InChI

InChI=1S/C11H9NO2S2/c1-2-7-12-8-5-3-4-6-9(8)15-10(12)16-11(13)14/h2-6H,1,7H2/p+1