SODIUM ALKYL(C10-18)SULFONATE
General Information
| Mainterm | SODIUM ALKYL(C10-18)SULFONATE |
| CAS Reg.No.(or other ID) | 68037-49-0 |
| Regnum |
178.3400 |
From www.fda.gov
Computed Descriptors
Download SDF| 2D Structure | |
| CID | 23693105 |
| IUPAC Name | sodium;tetradecane-1-sulfonate |
| InChI | InChI=1S/C14H30O3S.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18(15,16)17;/h2-14H2,1H3,(H,15,16,17);/q;+1/p-1 |
| InChI Key | AYFACLKQYVTXNS-UHFFFAOYSA-M |
| Canonical SMILES | CCCCCCCCCCCCCCS(=O)(=O)[O-].[Na+] |
| Molecular Formula | C14H29NaO3S |
From Pubchem
Computed Properties
| Property Name | Property Value |
|---|---|
| Molecular Weight | 300.433 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 13 |
| Complexity | 260.0 |
| CACTVS Substructure Key Fingerprint | A A A D c e B w M C B A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A G A Q A A A A A C A C E Q A C C A A A A A A I A A A A A A H B A A A A A A A A A A A A A A A A A A A I A A A A A A A A A A A A A A A E A g I A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A = = |
| Topological Polar Surface Area | 65.6 |
| Monoisotopic Mass | 300.174 |
| Exact Mass | 300.174 |
| Compound Is Canonicalized | True |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Isotope Atom Count | 0 |
| Covalently-Bonded Unit Count | 2 |
From Pubchem
Taxonomic Classification
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organic acids and derivatives |
| Class | Organic sulfonic acids and derivatives |
| Subclass | Organosulfonic acids and derivatives |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Organosulfonic acids |
| Alternative Parents | |
| Molecular Framework | Aliphatic acyclic compounds |
| Substituents | Alkanesulfonic acid - Sulfonyl - Organosulfonic acid - Organic alkali metal salt - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organic sodium salt - Organic salt - Organosulfur compound - Organic cation - Aliphatic acyclic compound |
| Description | This compound belongs to the class of organic compounds known as organosulfonic acids. These are compounds containing the sulfonic acid group, which has the general structure RS(=O)2OH (R is not a hydrogen atom). |
From ClassyFire