potassium; sodium; (2-carboxylatophenyl)sulfanyl-ethyl-mercury; (2E,4E)-hexa-2,4-dienoate

Systemtic Name: potassium; sodium; (2-carboxylatophenyl)sulfanyl-ethyl-mercury; (2E,4E)-hexa-2,4-dienoate Openeye Name: potassium; sodium; (2-carboxylatophenyl)sulfanyl-ethyl-mercury; (2E,4E)-hexa-2,4-dienoate CAS Name: potassium; sodium; [(2-carboxylatophenyl)thio]-ethylmercury; (2E,4E)-hexa-2,4-dienoate IUPAC Name: potassium; sodium; (2-carboxylatophenyl)sulfanyl-ethylmercury; (2E,4E)-hexa-2,4-dienoate Traditional Name: potassium sodium [(2-carboxylatophenyl)thio]-ethyl-mercury sorbate Formula: C15H16HgKNaO4S MolecularWeight: 555.02821

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Descriptors Computed from Structure

Canonical SMILES:

CC[Hg]SC1=CC=CC=C1C(=O)[O-].CC=CC=CC(=O)[O-].[Na+].[K+]

Isomeric SMILES

CC[Hg]SC1=CC=CC=C1C(=O)[O-].C/C=C/C=C/C(=O)[O-].[Na+].[K+]

InChI

InChI=1S/C7H6O2S.C6H8O2.C2H5.Hg.K.Na/c8-7(9)5-3-1-2-4-6(5)10;1-2-3-4-5-6(7)8;1-2;;;/h1-4,10H,(H,8,9);2-5H,1H3,(H,7,8);1H2,2H3;;;/q;;;3*+1/p-3/b;3-2+,5-4+;;;;