1-[5-[(2-bromanyl-3-iodanyl-phenyl)methoxy]-2-tert-butyl-1,3-dioxan-4-yl]ethyl benzoate

Systemtic Name: 1-[5-[(2-bromanyl-3-iodanyl-phenyl)methoxy]-2-tert-butyl-1,3-dioxan-4-yl]ethyl benzoate Openeye Name: 1-[5-[(2-bromo-3-iodo-phenyl)methoxy]-2-tert-butyl-1,3-dioxan-4-yl]ethyl benzoate CAS Name: benzoic acid 1-[5-[(2-bromo-3-iodophenyl)methoxy]-2-tert-butyl-1,3-dioxan-4-yl]ethyl ester IUPAC Name: 1-[5-[(2-bromo-3-iodophenyl)methoxy]-2-tert-butyl-1,3-dioxan-4-yl]ethyl benzoate Traditional Name: benzoic acid 1-[5-(2-bromo-3-iodo-benzyl)oxy-2-tert-butyl-1,3-dioxan-4-yl]ethyl ester Formula: C24H28BrIO5 MolecularWeight: 603.28459

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1C(COC(O1)C(C)(C)C)OCC2=C(C(=CC=C2)I)Br)OC(=O)C3=CC=CC=C3

Isomeric SMILES

CC(C1C(COC(O1)C(C)(C)C)OCC2=C(C(=CC=C2)I)Br)OC(=O)C3=CC=CC=C3

InChI

InChI=1S/C24H28BrIO5/c1-15(30-22(27)16-9-6-5-7-10-16)21-19(14-29-23(31-21)24(2,3)4)28-13-17-11-8-12-18(26)20(17)25/h5-12,15,19,21,23H,13-14H2,1-4H3