6-tert-butyl-8-iodanyl-spiro[3,4-dihydro-1,3-benzoxazine-2,2'-adamantane]

Systemtic Name: 6-tert-butyl-8-iodanyl-spiro[3,4-dihydro-1,3-benzoxazine-2,2'-adamantane] Openeye Name: 6-tert-butyl-8-iodo-spiro[3,4-dihydro-1,3-benzoxazine-2,2'-adamantane] CAS Name: 6-tert-butyl-8-iodospiro[3,4-dihydro-1,3-benzoxazine-2,2'-adamantane] IUPAC Name: 6-tert-butyl-8-iodospiro[3,4-dihydro-1,3-benzoxazine-2,2'-adamantane] Traditional Name: 6-tert-butyl-8-iodo-spiro[3,4-dihydro-1,3-benzoxazine-2,2'-adamantane] Formula: C21H28INO MolecularWeight: 437.35759

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=C2C(=C1)CNC3(O2)C4CC5CC(C4)CC3C5)I

Isomeric SMILES

CC(C)(C)C1=CC(=C2C(=C1)CNC3(O2)C4CC5CC(C4)CC3C5)I

InChI

InChI=1S/C21H28INO/c1-20(2,3)15-9-14-11-23-21(24-19(14)18(22)10-15)16-5-12-4-13(7-16)8-17(21)6-12/h9-10,12-13,16-17,23H,4-8,11H2,1-3H3