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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1OCC(C(O1)C(C)OC(=O)C2=CC=CC=C2)OCC3=CC(=C(C=C3)I)Cl

Isomeric SMILES

CCCC1OCC(C(O1)C(C)OC(=O)C2=CC=CC=C2)OCC3=CC(=C(C=C3)I)Cl

InChI

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