6-tert-butyl-8-iodanyl-3,3-dimethyl-2,4-dihydro-1,3-benzoxazin-3-ium iodide

Systemtic Name: 6-tert-butyl-8-iodanyl-3,3-dimethyl-2,4-dihydro-1,3-benzoxazin-3-ium iodide Openeye Name: 6-tert-butyl-8-iodo-3,3-dimethyl-2,4-dihydro-1,3-benzoxazin-3-ium iodide CAS Name: 6-tert-butyl-8-iodo-3,3-dimethyl-2,4-dihydro-1,3-benzoxazin-3-ium iodide IUPAC Name: 6-tert-butyl-8-iodo-3,3-dimethyl-2,4-dihydro-1,3-benzoxazin-3-ium iodide Traditional Name: 6-tert-butyl-8-iodo-3,3-dimethyl-2,4-dihydro-1,3-benzoxazin-3-ium iodide Formula: C14H21I2NO MolecularWeight: 473.13158

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=C2C(=C1)C[N+](CO2)(C)C)I.[I-]

Isomeric SMILES

CC(C)(C)C1=CC(=C2C(=C1)C[N+](CO2)(C)C)I.[I-]

InChI

InChI=1S/C14H21INO.HI/c1-14(2,3)11-6-10-8-16(4,5)9-17-13(10)12(15)7-11;/h6-7H,8-9H2,1-5H3;1H/q+1;/p-1