CAS No.: 1031-07-8 — Endosulfan sulfate (硫丹硫酸酯)

1. Primary Information

English name:	Endosulfan sulfate
CAS No.:	1031-07-8
Molecular formula:	C₉H₆Cl₆O₄S
Molecular weight:	422.9 g/mol
SMILES:	C1C2C(COS(=O)(=O)O1)C3(C(=C(C2(C3(Cl)Cl)Cl)Cl)Cl)Cl
Structural class:
Other identifiers:	endosulfan sulfate endosulfan sulphate

2. Suppliers & Pricing

Supplier	Pack size	Purity	Price (CNY)	Storage conditions	Lead time	Notes
Kehua Intelligence	1.2ml	100μg/ml in cyclohexane	152	2-8℃	in stock	-
Kehua Intelligence	1.2ml	100μg/ml in n-hexane	152	2-8℃	in stock	-

3. Structures

3.1 2D structure

3.2 3D structure

-1 -2 -3 26 28 0 1 0 0 0 0 0999 V2000 -1.8134 2.7582 -0.1991 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.8126 -2.7585 -0.1978 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -3.5478 0.0000 0.9437 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -3.1114 -0.0007 -1.8970 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.0706 1.7101 2.4021 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.0703 -1.7088 2.4028 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.9447 0.0000 0.0101 S 0 0 0 0 0 0 0 0 0 0 0 0 1.9463 1.2835 -0.1139 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9466 -1.2836 -0.1136 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8520 0.0000 -1.1227 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4765 0.0004 1.3608 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1654 0.7886 -1.3071 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.1652 -0.7891 -1.3068 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.1801 1.1233 -0.1494 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.1799 -1.1235 -0.1489 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.2560 -0.0003 -0.3202 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5855 0.6695 1.1682 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5853 -0.6689 1.1685 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1886 1.5033 -1.2901 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1888 -1.5036 -1.2897 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6220 1.0988 -2.2585 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6218 -1.0996 -2.2581 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7753 1.2327 -2.1754 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0225 2.5840 -1.3570 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0227 -2.5843 -1.3564 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7755 -1.2331 -2.1751 H 0 0 0 0 0 0 0 0 0 0 0 0 1 14 1 0 0 0 0 2 15 1 0 0 0 0 3 16 1 0 0 0 0 4 16 1 0 0 0 0 5 17 1 0 0 0 0 6 18 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 10 2 0 0 0 0 7 11 2 0 0 0 0 8 19 1 0 0 0 0 9 20 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 19 1 0 0 0 0 12 21 1 0 0 0 0 13 15 1 0 0 0 0 13 20 1 0 0 0 0 13 22 1 0 0 0 0 14 16 1 0 0 0 0 14 17 1 0 0 0 0 15 16 1 0 0 0 0 15 18 1 0 0 0 0 17 18 2 0 0 0 0 19 23 1 0 0 0 0 19 24 1 0 0 0 0 20 25 1 0 0 0 0 20 26 1 0 0 0 0

4. International Nomenclature & Identifiers

4.1 IUPAC Name

1,9,10,11,12,12-hexachloro-4,6-dioxa-5λ6-thiatricyclo[7.2.1.02,8]dodec-10-ene 5,5-dioxide

4.2 InChI

InChI=1S/C9H6Cl6O4S/c10-5-6(11)8(13)4-2-19-20(16,17)18-1-3(4)7(5,12)9(8,14)15/h3-4H,1-2H2

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)