bis[1-[(E)-2-methyl-3-[2,3,5-tris(iodanyl)phenyl]carbonyloxy-prop-2-enoyl]oxypropyl] benzene-1,2-dicarboxylate

Systemtic Name: bis[1-[(E)-2-methyl-3-[2,3,5-tris(iodanyl)phenyl]carbonyloxy-prop-2-enoyl]oxypropyl] benzene-1,2-dicarboxylate Openeye Name: bis[1-[(E)-2-methyl-3-(2,3,5-triiodobenzoyl)oxy-prop-2-enoyl]oxypropyl] benzene-1,2-dicarboxylate CAS Name: benzene-1,2-dicarboxylic acid bis[1-[(E)-2-methyl-1-oxo-3-[oxo-(2,3,5-triiodophenyl)methoxy]prop-2-enoxy]propyl] ester IUPAC Name: bis[1-[(E)-2-methyl-3-(2,3,5-triiodobenzoyl)oxyprop-2-enoyl]oxypropyl] benzene-1,2-dicarboxylate Traditional Name: benzene-1,2-dicarboxylic acid bis[1-[(E)-2-methyl-3-(2,3,5-triiodobenzoyl)oxy-acryloyl]oxypropyl] ester Formula: C36H28I6O12 MolecularWeight: 1414.02714

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(OC(=O)C1=CC=CC=C1C(=O)OC(CC)OC(=O)C(=COC(=O)C2=CC(=CC(=C2I)I)I)C)OC(=O)C(=COC(=O)C3=CC(=CC(=C3I)I)I)C

Isomeric SMILES

CCC(OC(=O)/C(=C/OC(=O)C1=CC(=CC(=C1I)I)I)/C)OC(=O)C2=CC=CC=C2C(=O)OC(OC(=O)/C(=C/OC(=O)C3=CC(=CC(=C3I)I)I)/C)CC

InChI

InChI=1S/C36H28I6O12/c1-5-27(51-31(43)17(3)15-49-33(45)23-11-19(37)13-25(39)29(23)41)53-35(47)21-9-7-8-10-22(21)36(48)54-28(6-2)52-32(44)18(4)16-50-34(46)24-12-20(38)14-26(40)30(24)42/h7-16,27-28H,5-6H2,1-4H3/b17-15+,18-16+