CAS No.: 1847-58-1 — Sodium lauryl sulfoacetate (鱼腥草素钠)

1. Primary Information

English name:	Sodium lauryl sulfoacetate
CAS No.:	1847-58-1
Molecular formula:	C₁₄H₂₇NAO₅S
Molecular weight:	330.42 g/mol
SMILES:	CCCCCCCCCCCCOC(=O)CS(=O)(=O)[O-].[Na+]
Structural class:
Other identifiers:	-

2. Suppliers & Pricing

Supplier

Pack size

Purity

Price (CNY)

Storage conditions

Lead time

Notes

3. Structures

3.1 2D structure

3.2 3D structure

Coming soon

4. International Nomenclature & Identifiers

4.1 IUPAC Name

sodium;2-dodecoxy-2-oxoethanesulfonate

4.2 InChI

InChI=1S/C14H28O5S.Na/c1-2-3-4-5-6-7-8-9-10-11-12-19-14(15)13-20(16,17)18;/h2-13H2,1H3,(H,16,17,18);/q;+1/p-1

4.3 InChIKey

UAJTZZNRJCKXJN-UHFFFAOYSA-M

4.4 Canonical SMILES

CCCCCCCCCCCCOC(=O)CS(=O)(=O)[O-].[Na+]

4.5 Isomeric SMILES

4.6 SDF file

                  0  0  0     0  0            999 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 21 19 0 0 0
M  V30 BEGIN ATOM
M  V30 1 C 1 -0.5 0 0
M  V30 2 C 0.5 -1.36603 0 0
M  V30 3 C 1 -2.23205 0 0
M  V30 4 C 2 -2.23205 0 0
M  V30 5 C 2.5 -3.09808 0 0
M  V30 6 C 3.5 -3.09808 0 0
M  V30 7 C 4 -3.9641 0 0
M  V30 8 C 5 -3.9641 0 0
M  V30 9 C 5.5 -4.83013 0 0
M  V30 10 C 6.5 -4.83013 0 0
M  V30 11 C 7 -5.69615 0 0
M  V30 12 C 8 -5.69615 0 0
M  V30 13 O 8.5 -6.56218 0 0
M  V30 14 C 9.5 -6.56218 0 0
M  V30 15 O 10 -7.4282 0 0
M  V30 16 C 10 -5.69615 0 0
M  V30 17 S 11 -5.69615 0 0
M  V30 18 O 11 -6.69615 0 0
M  V30 19 O 12 -5.69615 0 0
M  V30 20 O 11 -4.69615 0 0 CHG=-1
M  V30 21 Na 0.5 -8.4282 0 0 CHG=1
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 1 2 3
M  V30 3 1 3 4
M  V30 4 1 4 5
M  V30 5 1 5 6
M  V30 6 1 6 7
M  V30 7 1 7 8
M  V30 8 1 8 9
M  V30 9 1 9 10
M  V30 10 1 10 11
M  V30 11 1 11 12
M  V30 12 1 12 13
M  V30 13 1 13 14
M  V30 14 2 14 15
M  V30 15 1 14 16
M  V30 16 1 16 17
M  V30 17 2 17 18
M  V30 18 2 17 19
M  V30 19 1 17 20
M  V30 END BOND
M  V30 END CTAB
M  END

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)