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

Systemtic Name: 1-[5-[(2-bromanyl-3-iodanyl-phenyl)methoxy]-2-ethyl-1,3-dioxan-4-yl]ethyl benzoate Openeye Name: 1-[5-[(2-bromo-3-iodo-phenyl)methoxy]-2-ethyl-1,3-dioxan-4-yl]ethyl benzoate CAS Name: benzoic acid 1-[5-[(2-bromo-3-iodophenyl)methoxy]-2-ethyl-1,3-dioxan-4-yl]ethyl ester IUPAC Name: 1-[5-[(2-bromo-3-iodophenyl)methoxy]-2-ethyl-1,3-dioxan-4-yl]ethyl benzoate Traditional Name: benzoic acid 1-[5-(2-bromo-3-iodo-benzyl)oxy-2-ethyl-1,3-dioxan-4-yl]ethyl ester Formula: C22H24BrIO5 MolecularWeight: 575.23143

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Descriptors Computed from Structure

Canonical SMILES:

CCC1OCC(C(O1)C(C)OC(=O)C2=CC=CC=C2)OCC3=C(C(=CC=C3)I)Br

Isomeric SMILES

CCC1OCC(C(O1)C(C)OC(=O)C2=CC=CC=C2)OCC3=C(C(=CC=C3)I)Br

InChI

InChI=1S/C22H24BrIO5/c1-3-19-27-13-18(26-12-16-10-7-11-17(24)20(16)23)21(29-19)14(2)28-22(25)15-8-5-4-6-9-15/h4-11,14,18-19,21H,3,12-13H2,1-2H3