disodium C-dodecyl sulphonatosuccinate 26838-05-1 wiki

1.2 Synonyms: 248-030-5; Butanedioic acid, sulfo-, C-dodecyl ester, disodium salt; Disodium 4-(dodecyloxy)-4-oxo-2-sulfonatobutanoate; Disodium c-dodecyl sulfonatosuccinate;

1.7 Inchi: InChI=1S/C16H30O7S.2Na/c1-2-3-4-5-6-7-8-9-10-11-12-23-15(17)13-14(16(18)19)24(20,21)22;;/h14H,2-13H2,1H3,(H,18,19)(H,20,21,22);;/q;2*+1/p-2

1.9 Canonical Smiles: CCCCCCCCCCCCOC(=O)CC(C(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]

1.10 Isomers Smiles: CCCCCCCCCCCCOC(=O)CC(C(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]

Acute toxicity - Oral, Category 4

Serious eye damage, Category 1

Pictogram(s)
Signal word	Danger
Hazard statement(s)	H302 Harmful if swallowed H318 Causes serious eye damage
Precautionary statement(s)
Prevention	P264 Wash ... thoroughly after handling. P270 Do not eat, drink or smoke when using this product. P280 Wear protective gloves/protective clothing/eye protection/face protection.
Response	P301+P312 IF SWALLOWED: Call a POISON CENTER/doctor/…if you feel unwell. P330 Rinse mouth. P305+P351+P338 IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing. P310 Immediately call a POISON CENTER/doctor/…
Storage	none
Disposal	P501 Dispose of contents/container to ...

none

Molecular Weight：776.902g/mol
Molecular Formula：C₁₆H₂₈Na₂O₇S
Compound Is Canonicalized：True
XLogP3-AA：410.13511297
Monoisotopic Mass：410.13511297
Complexity：435
Rotatable Bond Count：14
Hydrogen Bond Donor Count：0
Hydrogen Bond Acceptor Count：7
Topological Polar Surface Area：132
Heavy Atom Count：：26
Defined Atom Stereocenter Count：0
Undefined Atom Stereocenter Count：1
Defined Bond Stereocenter Count：0
Undefined Bond Stereocenter Count：0
Isotope Atom Count：0
Covalently-Bonded Unit Count：3
CACTVS Substructure Key Fingerprint：AAADceB4ODBAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAGgQAAAAACACkwAKCCAAABAIIAACQCHBAAAAAAAAAAAEAAAAAABIAAAACAAAEAAAAAAHDwKAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==