benzene; [4-[(4-iodanyl-1,3-dioxan-5-yl)carbonyl]phenyl] 4-hexoxybenzoate

Systemtic Name: benzene; [4-[(4-iodanyl-1,3-dioxan-5-yl)carbonyl]phenyl] 4-hexoxybenzoate Openeye Name: benzene; [4-(4-iodo-1,3-dioxane-5-carbonyl)phenyl] 4-hexoxybenzoate CAS Name: benzene; 4-hexoxybenzoic acid [4-[(4-iodo-1,3-dioxan-5-yl)-oxomethyl]phenyl] ester IUPAC Name: benzene; [4-(4-iodo-1,3-dioxane-5-carbonyl)phenyl] 4-hexoxybenzoate Traditional Name: benzene; 4-hexoxybenzoic acid [4-(4-iodo-1,3-dioxane-5-carbonyl)phenyl] ester Formula: C30H33IO6 MolecularWeight: 616.48389

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)C(=O)C3COCOC3I.C1=CC=CC=C1

Isomeric SMILES

CCCCCCOC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)C(=O)C3COCOC3I.C1=CC=CC=C1

InChI

InChI=1S/C24H27IO6.C6H6/c1-2-3-4-5-14-29-19-10-8-18(9-11-19)24(27)31-20-12-6-17(7-13-20)22(26)21-15-28-16-30-23(21)25;1-2-4-6-5-3-1/h6-13,21,23H,2-5,14-16H2,1H3;1-6H