2,7-ditert-butyl-1-methyl-thiepin-1-ium iodide

Systemtic Name: 2,7-ditert-butyl-1-methyl-thiepin-1-ium iodide Openeye Name: 2,7-ditert-butyl-1-methyl-thiepin-1-ium iodide CAS Name: 2,7-ditert-butyl-1-methylthiepin-1-ium iodide IUPAC Name: 2,7-ditert-butyl-1-methylthiepin-1-ium iodide Traditional Name: 2,7-ditert-butyl-1-methyl-thiepin-1-ium iodide Formula: C15H25IS MolecularWeight: 364.32847

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=CC=C([S+]1C)C(C)(C)C.[I-]

Isomeric SMILES

CC(C)(C)C1=CC=CC=C([S+]1C)C(C)(C)C.[I-]

InChI

InChI=1S/C15H25S.HI/c1-14(2,3)12-10-8-9-11-13(16(12)7)15(4,5)6;/h8-11H,1-7H3;1H/q+1;/p-1