2-[2-[(E)-2-phenylethenyl]-1,3-benzothiazol-3-ium-3-yl]ethanoic acid

Systemtic Name: 2-[2-[(E)-2-phenylethenyl]-1,3-benzothiazol-3-ium-3-yl]ethanoic acid Openeye Name: 2-[2-[(E)-styryl]-1,3-benzothiazol-3-ium-3-yl]acetic acid CAS Name: 2-[2-[(E)-2-phenylethenyl]-1,3-benzothiazol-3-ium-3-yl]acetic acid IUPAC Name: 2-[2-[(E)-2-phenylethenyl]-1,3-benzothiazol-3-ium-3-yl]acetic acid Traditional Name: 2-[2-[(E)-styryl]-1,3-benzothiazol-3-ium-3-yl]acetic acid Formula: C17H14NO2S+ MolecularWeight: 296.36356

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C=CC2=[N+](C3=CC=CC=C3S2)CC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)/C=C/C2=[N+](C3=CC=CC=C3S2)CC(=O)O

InChI

InChI=1S/C17H13NO2S/c19-17(20)12-18-14-8-4-5-9-15(14)21-16(18)11-10-13-6-2-1-3-7-13/h1-11H,12H2/p+1/b11-10+