CAS No.: 2055-97-2 — 3,3',5,5'-Tetraiodothyroformic acid (左旋甲状腺素EP杂质H)

1. Primary Information

English name:	3,3',5,5'-Tetraiodothyroformic acid
CAS No.:	2055-97-2
Molecular formula:	C₁₃H₆I₄O₄
Molecular weight:	733.80 g/mol
SMILES:	C1=C(C=C(C(=C1I)OC2=CC(=C(C(=C2)I)O)I)I)C(=O)O
Structural class:
Other identifiers:	3,3',5,5'-tetraiodothyroformic acid

2. Suppliers & Pricing

Supplier	Pack size	Purity	Price (CNY)	Storage conditions	Lead time	Notes
Kehua Intelligence	2.5mg	≥90%	1488	2-8°C	in stock	-

3. Structures

3.1 2D structure

3.2 3D structure

-1 -2 -3 27 28 0 0 0 0 0 0 0999 V2000 -0.5302 -1.2438 -3.0432 I 0 0 0 0 0 0 0 0 0 0 0 0 -0.5654 -1.1287 3.0588 I 0 0 0 0 0 0 0 0 0 0 0 0 5.8090 -1.3158 0.0523 I 0 0 0 0 0 0 0 0 0 0 0 0 2.0630 3.5011 -0.0703 I 0 0 0 0 0 0 0 0 0 0 0 0 0.4285 -1.6334 0.0216 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7845 1.7520 -0.0180 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1549 0.9386 1.1976 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.3174 0.9785 -1.0693 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8131 -1.0645 0.0039 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5202 -0.7851 0.0115 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3503 0.0953 -0.0328 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4402 -0.7969 -1.2130 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4546 -0.7521 1.2025 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7088 -0.2170 -1.2313 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7231 -0.1721 1.1841 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3129 0.5832 -0.0156 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7952 -1.3239 0.0291 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8968 -0.4681 0.0189 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4144 1.4392 -0.0255 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7064 0.9134 -0.0084 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6729 0.6998 -0.0529 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2006 -0.0070 -2.1786 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2064 0.0643 2.1287 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3297 1.0405 -0.0301 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9199 -2.4034 0.0510 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5943 1.2134 -0.0034 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0472 1.3457 1.1732 H 0 0 0 0 0 0 0 0 0 0 0 0 1 12 1 0 0 0 0 2 13 1 0 0 0 0 3 18 1 0 0 0 0 4 19 1 0 0 0 0 5 9 1 0 0 0 0 5 10 1 0 0 0 0 6 20 1 0 0 0 0 6 26 1 0 0 0 0 7 21 1 0 0 0 0 7 27 1 0 0 0 0 8 21 2 0 0 0 0 9 12 2 0 0 0 0 9 13 1 0 0 0 0 10 16 2 0 0 0 0 10 17 1 0 0 0 0 11 14 2 0 0 0 0 11 15 1 0 0 0 0 11 21 1 0 0 0 0 12 14 1 0 0 0 0 13 15 2 0 0 0 0 14 22 1 0 0 0 0 15 23 1 0 0 0 0 16 19 1 0 0 0 0 16 24 1 0 0 0 0 17 18 2 0 0 0 0 17 25 1 0 0 0 0 18 20 1 0 0 0 0 19 20 2 0 0 0 0

4. International Nomenclature & Identifiers

4.1 IUPAC Name

4-(4-hydroxy-3,5-diiodophenoxy)-3,5-diiodobenzoic acid

4.2 InChI

InChI=1S/C13H6I4O4/c14-7-3-6(4-8(15)11(7)18)21-12-9(16)1-5(13(19)20)2-10(12)17/h1-4,18H,(H,19,20)

1. Primary Information

2. Suppliers & Pricing

3. Structures

3.1 2D structure

3.2 3D structure

4. International Nomenclature & Identifiers

4.1 IUPAC Name

4.2 InChI

4.3 InChIKey

4.4 Canonical SMILES

4.5 Isomeric SMILES

4.6 SDF file

5. Spectroscopic data

5.1 ¹³C nuclear magnetic resonance (¹³C NMR)

5.2 ¹H nuclear magnetic resonance (¹H NMR)

5.3 Mass spectrometry (MS)

5.4 Infrared spectroscopy (IR)

5.5 Ultraviolet/visible spectroscopy (UV/Vis)

1. Primary Information

2. Suppliers & Pricing

3. Structures

3.1 2D structure

3.2 3D structure

4. International Nomenclature & Identifiers

4.1 IUPAC Name

4.2 InChI

4.3 InChIKey

4.4 Canonical SMILES

4.5 Isomeric SMILES

4.6 SDF file

5. Spectroscopic data

5.1 13C nuclear magnetic resonance (13C NMR)

5.2 1H nuclear magnetic resonance (1H NMR)

5.3 Mass spectrometry (MS)

5.4 Infrared spectroscopy (IR)

5.5 Ultraviolet/visible spectroscopy (UV/Vis)

5.1 ¹³C nuclear magnetic resonance (¹³C NMR)

5.2 ¹H nuclear magnetic resonance (¹H NMR)