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85153-73-7 | DISODIUM 10-HYDROXY-18-[2-[2-(SULFONATOOXY)ETHOXY]ETHOXY]OCTADECANE-9-SULFONATE
CAS No: 85153-73-7 Catalog No: AG004WSL MDL No:
Product Description
Catalog Number:
AG004WSL
Chemical Name:
DISODIUM 10-HYDROXY-18-[2-[2-(SULFONATOOXY)ETHOXY]ETHOXY]OCTADECANE-9-SULFONATE
CAS Number:
85153-73-7
Molecular Formula:
C22H44Na2O10S2
Molecular Weight:
578.6883
IUPAC Name:
disodium;10-hydroxy-18-[2-(2-sulfonatooxyethoxy)ethoxy]octadecane-9-sulfonate
InChI:
InChI=1S/C22H46O10S2.2Na/c1-2-3-4-5-9-12-15-22(33(24,25)26)21(23)14-11-8-6-7-10-13-16-30-17-18-31-19-20-32-34(27,28)29;;/h21-23H,2-20H2,1H3,(H,24,25,26)(H,27,28,29);;/q;2*+1/p-2
InChI Key:
ACAYMVIABBCVER-UHFFFAOYSA-L
SMILES:
CCCCCCCCC(S(=O)(=O)[O-])C(CCCCCCCCOCCOCCOS(=O)(=O)[O-])O.[Na+].[Na+]
EC Number:
285-857-0
Properties
Complexity:
630
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
578.217g/mol
Formal Charge:
0
Heavy Atom Count:
36
Hydrogen Bond Acceptor Count:
10
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
578.684g/mol
Monoisotopic Mass:
578.217g/mol
Rotatable Bond Count:
23
Topological Polar Surface Area:
179A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
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