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

Systemtic Name: 6-tert-butyl-8-iodanyl-spiro[3,4-dihydro-1,3-benzoxazine-2,4'-cyclohexane]-1'-carboxylic acid Openeye Name: 6-tert-butyl-8-iodo-spiro[3,4-dihydro-1,3-benzoxazine-2,4'-cyclohexane]-1'-carboxylic acid CAS Name: 6-tert-butyl-8-iodo-1'-spiro[3,4-dihydro-1,3-benzoxazine-2,4'-cyclohexane]carboxylic acid IUPAC Name: 6-tert-butyl-8-iodospiro[3,4-dihydro-1,3-benzoxazine-2,4'-cyclohexane]-1'-carboxylic acid Traditional Name: 6-tert-butyl-8-iodo-spiro[3,4-dihydro-1,3-benzoxazine-2,4'-cyclohexane]-1'-carboxylic acid Formula: C18H24INO3 MolecularWeight: 429.29253

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=C2C(=C1)CNC3(O2)CCC(CC3)C(=O)O)I

Isomeric SMILES

CC(C)(C)C1=CC(=C2C(=C1)CNC3(O2)CCC(CC3)C(=O)O)I

InChI

InChI=1S/C18H24INO3/c1-17(2,3)13-8-12-10-20-18(23-15(12)14(19)9-13)6-4-11(5-7-18)16(21)22/h8-9,11,20H,4-7,10H2,1-3H3,(H,21,22)