2-buta-1,3-dien-2-yl-3,6-dimethyl-1,3-benzothiazol-3-ium-7-sulfonic acid

Systemtic Name: 2-buta-1,3-dien-2-yl-3,6-dimethyl-1,3-benzothiazol-3-ium-7-sulfonic acid Openeye Name: 3,6-dimethyl-2-(1-methyleneallyl)-1,3-benzothiazol-3-ium-7-sulfonic acid CAS Name: 2-buta-1,3-dien-2-yl-3,6-dimethyl-1,3-benzothiazol-3-ium-7-sulfonic acid IUPAC Name: 2-buta-1,3-dien-2-yl-3,6-dimethyl-1,3-benzothiazol-3-ium-7-sulfonic acid Traditional Name: 3,6-dimethyl-2-(1-methyleneallyl)-1,3-benzothiazol-3-ium-7-sulfonic acid Formula: C13H14NO3S2+ MolecularWeight: 296.38516

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)[N+](=C(S2)C(=C)C=C)C)S(=O)(=O)O

Isomeric SMILES

CC1=C(C2=C(C=C1)[N+](=C(S2)C(=C)C=C)C)S(=O)(=O)O

InChI

InChI=1S/C13H13NO3S2/c1-5-8(2)13-14(4)10-7-6-9(3)12(11(10)18-13)19(15,16)17/h5-7H,1-2H2,3-4H3/p+1