[3,5-bis(2-ethylhexanoyloxy)-2,4,6-tris(iodanyl)phenyl] 2-ethylhexanoate

Systemtic Name: [3,5-bis(2-ethylhexanoyloxy)-2,4,6-tris(iodanyl)phenyl] 2-ethylhexanoate Openeye Name: [3,5-bis(2-ethylhexanoyloxy)-2,4,6-triiodo-phenyl] 2-ethylhexanoate CAS Name: 2-ethylhexanoic acid [3,5-bis(2-ethyl-1-oxohexoxy)-2,4,6-triiodophenyl] ester IUPAC Name: [3,5-bis(2-ethylhexanoyloxy)-2,4,6-triiodophenyl] 2-ethylhexanoate Traditional Name: 2-ethylhexanoic acid [3,5-bis(2-ethylhexanoyloxy)-2,4,6-triiodo-phenyl] ester Formula: C30H45I3O6 MolecularWeight: 882.38811

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)C(=O)OC1=C(C(=C(C(=C1I)OC(=O)C(CC)CCCC)I)OC(=O)C(CC)CCCC)I

Isomeric SMILES

CCCCC(CC)C(=O)OC1=C(C(=C(C(=C1I)OC(=O)C(CC)CCCC)I)OC(=O)C(CC)CCCC)I

InChI

InChI=1S/C30H45I3O6/c1-7-13-16-19(10-4)28(34)37-25-22(31)26(38-29(35)20(11-5)17-14-8-2)24(33)27(23(25)32)39-30(36)21(12-6)18-15-9-3/h19-21H,7-18H2,1-6H3