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

Systemtic Name: 1-[5-[(4-iodophenyl)methoxy]-2-propyl-1,3-dioxan-4-yl]ethyl benzoate Openeye Name: 1-[5-[(4-iodophenyl)methoxy]-2-propyl-1,3-dioxan-4-yl]ethyl benzoate CAS Name: benzoic acid 1-[5-[(4-iodophenyl)methoxy]-2-propyl-1,3-dioxan-4-yl]ethyl ester IUPAC Name: 1-[5-[(4-iodophenyl)methoxy]-2-propyl-1,3-dioxan-4-yl]ethyl benzoate Traditional Name: benzoic acid 1-[5-(4-iodobenzyl)oxy-2-propyl-1,3-dioxan-4-yl]ethyl ester Formula: C23H27IO5 MolecularWeight: 510.36195

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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

Isomeric SMILES

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

InChI

InChI=1S/C23H27IO5/c1-3-7-21-27-15-20(26-14-17-10-12-19(24)13-11-17)22(29-21)16(2)28-23(25)18-8-5-4-6-9-18/h4-6,8-13,16,20-22H,3,7,14-15H2,1-2H3