4-[(E)-2-(3-methyl-1,3-benzothiazol-3-ium-2-yl)ethenyl]benzene-1,2-diol

Systemtic Name: 4-[(E)-2-(3-methyl-1,3-benzothiazol-3-ium-2-yl)ethenyl]benzene-1,2-diol Openeye Name: 4-[(E)-2-(3-methyl-1,3-benzothiazol-3-ium-2-yl)vinyl]benzene-1,2-diol CAS Name: 4-[(E)-2-(3-methyl-1,3-benzothiazol-3-ium-2-yl)ethenyl]benzene-1,2-diol IUPAC Name: 4-[(E)-2-(3-methyl-1,3-benzothiazol-3-ium-2-yl)ethenyl]benzene-1,2-diol Traditional Name: 4-[(E)-2-(3-methyl-1,3-benzothiazol-3-ium-2-yl)vinyl]pyrocatechol Formula: C16H14NO2S+ MolecularWeight: 284.35286

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C(SC2=CC=CC=C21)C=CC3=CC(=C(C=C3)O)O

Isomeric SMILES

C[N+]1=C(SC2=CC=CC=C21)/C=C/C3=CC(=C(C=C3)O)O

InChI

InChI=1S/C16H13NO2S/c1-17-12-4-2-3-5-15(12)20-16(17)9-7-11-6-8-13(18)14(19)10-11/h2-10,19H,1H3/p+1