dioctan-2-yl 2,4,6-tris(iodanyl)-5-octan-2-yloxy-benzene-1,3-dicarboxylate

Systemtic Name: dioctan-2-yl 2,4,6-tris(iodanyl)-5-octan-2-yloxy-benzene-1,3-dicarboxylate Openeye Name: bis(1-methylheptyl) 2,4,6-triiodo-5-(1-methylheptoxy)benzene-1,3-dicarboxylate CAS Name: 2,4,6-triiodo-5-octan-2-yloxybenzene-1,3-dicarboxylic acid dioctan-2-yl ester IUPAC Name: dioctan-2-yl 2,4,6-triiodo-5-octan-2-yloxybenzene-1,3-dicarboxylate Traditional Name: 2,4,6-triiodo-5-(1-methylheptoxy)benzene-1,3-dicarboxylic acid bis(1-methylheptyl) ester Formula: C32H51I3O5 MolecularWeight: 896.45775

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C)OC1=C(C(=C(C(=C1I)C(=O)OC(C)CCCCCC)I)C(=O)OC(C)CCCCCC)I

Isomeric SMILES

CCCCCCC(C)OC1=C(C(=C(C(=C1I)C(=O)OC(C)CCCCCC)I)C(=O)OC(C)CCCCCC)I

InChI

InChI=1S/C32H51I3O5/c1-7-10-13-16-19-22(4)38-30-28(34)25(31(36)39-23(5)20-17-14-11-8-2)27(33)26(29(30)35)32(37)40-24(6)21-18-15-12-9-3/h22-24H,7-21H2,1-6H3