[4-(5-bromanyl-2-oxidanyl-phenyl)-1,3-dithiol-2-ylidene]-dimethyl-azanium; hydrogen sulfate

Systemtic Name: [4-(5-bromanyl-2-oxidanyl-phenyl)-1,3-dithiol-2-ylidene]-dimethyl-azanium; hydrogen sulfate Openeye Name: [4-(5-bromo-2-hydroxy-phenyl)-1,3-dithiol-2-ylidene]-dimethyl-ammonium; hydrogen sulfate CAS Name: [4-(5-bromo-2-hydroxyphenyl)-1,3-dithiol-2-ylidene]-dimethylammonium; hydrogen sulfate IUPAC Name: [4-(5-bromo-2-hydroxyphenyl)-1,3-dithiol-2-ylidene]-dimethylazanium; hydrogen sulfate Traditional Name: [4-(5-bromo-2-hydroxy-phenyl)-1,3-dithiol-2-ylidene]-dimethyl-ammonium bisulfate Formula: C11H12BrNO5S3 MolecularWeight: 414.31568

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](=C1SC=C(S1)C2=C(C=CC(=C2)Br)O)C.OS(=O)(=O)[O-]

Isomeric SMILES

C[N+](=C1SC=C(S1)C2=C(C=CC(=C2)Br)O)C.OS(=O)(=O)[O-]

InChI

InChI=1S/C11H10BrNOS2.H2O4S/c1-13(2)11-15-6-10(16-11)8-5-7(12)3-4-9(8)14;1-5(2,3)4/h3-6H,1-2H3;(H2,1,2,3,4)