4-(1H-benzimidazol-1-ium-2-yl)-1,3-thiazole; (2E,4E)-hexa-2,4-dienoate

Systemtic Name: 4-(1H-benzimidazol-1-ium-2-yl)-1,3-thiazole; (2E,4E)-hexa-2,4-dienoate Openeye Name: 4-(1H-benzimidazol-1-ium-2-yl)thiazole; (2E,4E)-hexa-2,4-dienoate CAS Name: 4-(1H-benzimidazol-1-ium-2-yl)thiazole; (2E,4E)-hexa-2,4-dienoate IUPAC Name: 4-(1H-benzimidazol-1-ium-2-yl)-1,3-thiazole; (2E,4E)-hexa-2,4-dienoate Traditional Name: 4-(1H-benzimidazol-1-ium-2-yl)thiazole sorbate Formula: C16H15N3O2S MolecularWeight: 313.3742

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Descriptors Computed from Structure

Canonical SMILES:

CC=CC=CC(=O)[O-].C1=CC=C2C(=C1)[NH2+]C(=N2)C3=CSC=N3

Isomeric SMILES

C/C=C/C=C/C(=O)[O-].C1=CC=C2C(=C1)[NH2+]C(=N2)C3=CSC=N3

InChI

InChI=1S/C10H7N3S.C6H8O2/c1-2-4-8-7(3-1)12-10(13-8)9-5-14-6-11-9;1-2-3-4-5-6(7)8/h1-6H,(H,12,13);2-5H,1H3,(H,7,8)/b;3-2+,5-4+