6-tert-butyl-8-iodanyl-3,3-dimethyl-spiro[4H-1,3-benzoxazin-3-ium-2,1'-cyclohexane] ethanoate

Systemtic Name: 6-tert-butyl-8-iodanyl-3,3-dimethyl-spiro[4H-1,3-benzoxazin-3-ium-2,1'-cyclohexane] ethanoate Openeye Name: 6-tert-butyl-8-iodo-3,3-dimethyl-spiro[4H-1,3-benzoxazin-3-ium-2,1'-cyclohexane] acetate CAS Name: 6-tert-butyl-8-iodo-3,3-dimethylspiro[4H-1,3-benzoxazin-3-ium-2,1'-cyclohexane] acetate IUPAC Name: 6-tert-butyl-8-iodo-3,3-dimethylspiro[4H-1,3-benzoxazin-3-ium-2,1'-cyclohexane] acetate Traditional Name: 6-tert-butyl-8-iodo-3,3-dimethyl-spiro[4H-1,3-benzoxazin-3-ium-2,1'-cyclohexane] acetate Formula: C21H32INO3 MolecularWeight: 473.38815

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)[O-].CC(C)(C)C1=CC(=C2C(=C1)C[N+](C3(O2)CCCCC3)(C)C)I

Isomeric SMILES

CC(=O)[O-].CC(C)(C)C1=CC(=C2C(=C1)C[N+](C3(O2)CCCCC3)(C)C)I

InChI

InChI=1S/C19H29INO.C2H4O2/c1-18(2,3)15-11-14-13-21(4,5)19(9-7-6-8-10-19)22-17(14)16(20)12-15;1-2(3)4/h11-12H,6-10,13H2,1-5H3;1H3,(H,3,4)/q+1;/p-1