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

Systemtic Name: 1-[5-[(3-chloranyl-4-iodanyl-phenyl)methoxy]-2-propan-2-yl-1,3-dioxan-4-yl]ethyl benzoate Openeye Name: 1-[5-[(3-chloro-4-iodo-phenyl)methoxy]-2-isopropyl-1,3-dioxan-4-yl]ethyl benzoate CAS Name: benzoic acid 1-[5-[(3-chloro-4-iodophenyl)methoxy]-2-propan-2-yl-1,3-dioxan-4-yl]ethyl ester IUPAC Name: 1-[5-[(3-chloro-4-iodophenyl)methoxy]-2-propan-2-yl-1,3-dioxan-4-yl]ethyl benzoate Traditional Name: benzoic acid 1-[5-(3-chloro-4-iodo-benzyl)oxy-2-isopropyl-1,3-dioxan-4-yl]ethyl ester Formula: C23H26ClIO5 MolecularWeight: 544.80701

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1OCC(C(O1)C(C)OC(=O)C2=CC=CC=C2)OCC3=CC(=C(C=C3)I)Cl

Isomeric SMILES

CC(C)C1OCC(C(O1)C(C)OC(=O)C2=CC=CC=C2)OCC3=CC(=C(C=C3)I)Cl

InChI

InChI=1S/C23H26ClIO5/c1-14(2)23-28-13-20(27-12-16-9-10-19(25)18(24)11-16)21(30-23)15(3)29-22(26)17-7-5-4-6-8-17/h4-11,14-15,20-21,23H,12-13H2,1-3H3