| CAS Number | 183278-30-0 |
| Catalog Number | AG0027GO(AGN-PC-0QCG4A) |
| Chemical Name | 1-Butanesulfonic acid, 4,4'-oxybis-, disodium salt (9CI) |
| IUPAC Name | disodium;4-(4-sulfonatobutoxy)butane-1-sulfonate |
| InChI | InChI=1S/C8H18O7S2.2Na/c9-16(10,11)7-3-1-5-15-6-2-4-8-17(12,13)14;;/h1-8H2,(H,9,10,11)(H,12,13,14);;/q;2*+1/p-2 |
| InChI Key | FMASHOOOLPDQTK-UHFFFAOYSA-L |
| MDL Number | MFCD28138233 |
| Molecular Formula | C8H16Na2O7S2 |
| Molecular Weight | 334.3180 |
| SMILES | [Na+].[Na+].S(=O)(=O)([O-])CCCCOCCCCS(=O)(=O)[O-] |
| Synonyms | 183278-30-0,
Sodium 4,4'-oxybis(butane-1-sulfonate),
Bis(4-sulfobutyl)ether Disodium,
AK499322,
SCHEMBL1009169,
WAS-18,
DTXSID40747189,
Bis(4-sulfobutyl)ether Disodium Salt,
ACN-052845,
Disodium 4,4'-oxydi(butane-1-sulfonate),
4,4'-Oxybis-1-butanesulfonic Acid Disodium Salt,
disodium,4-(4-sulfonatobutoxy)butane-1-sulfonate,
disodium;4-(4-sulfonatobutoxy)butane-1-sulfonate,
J-011731,
DISODIUM 4-(4-SULFONATOBUTOXY)BUTANE-1-SULFONATE,
|
| Complexity | 308 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 3 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 334.013g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 334.309g/mol |
| Monoisotopic Mass | 334.013g/mol |
| Rotatable Bond Count | 8 |
| Topological Polar Surface Area | 140A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
| Symbol: |  |
|
Hazard Class
|
|
|
Hazard statements
|
H315-H319-H335
|
|
Packing Group
|
|
|
Precautionary statements
|
P261-P305+P351+P338
|
|
UN Code
|
|
Certificate of Analysis
Lot Number