diicosyl 3,4,6-tris(iodanyl)benzene-1,2-dicarboxylate

Systemtic Name: diicosyl 3,4,6-tris(iodanyl)benzene-1,2-dicarboxylate Openeye Name: diicosyl 3,4,6-triiodobenzene-1,2-dicarboxylate CAS Name: 3,4,6-triiodobenzene-1,2-dicarboxylic acid dieicosyl ester IUPAC Name: diicosyl 3,4,6-triiodobenzene-1,2-dicarboxylate Traditional Name: 3,4,6-triiodobenzene-1,2-dicarboxylic acid diarachyl ester Formula: C48H83I3O4 MolecularWeight: 1104.88363

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCOC(=O)C1=C(C(=C(C=C1I)I)I)C(=O)OCCCCCCCCCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCCOC(=O)C1=C(C(=C(C=C1I)I)I)C(=O)OCCCCCCCCCCCCCCCCCCCC

InChI

InChI=1S/C48H83I3O4/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-54-47(52)44-42(49)41-43(50)46(51)45(44)48(53)55-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h41H,3-40H2,1-2H3