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85909-59-7 | SODIUM 2-[(2-HYDROXYETHYL)[2-(SULFONATOOXY)ETHYL]SULFONIO]ETHYL SULFATE
CAS No: 85909-59-7 Catalog No: AG004MTF MDL No:
Product Description
Catalog Number:
AG004MTF
Chemical Name:
SODIUM 2-[(2-HYDROXYETHYL)[2-(SULFONATOOXY)ETHYL]SULFONIO]ETHYL SULFATE
CAS Number:
85909-59-7
Molecular Formula:
C6H13NaO9S3
Molecular Weight:
348.3468
IUPAC Name:
sodium;2-[2-hydroxyethyl(2-sulfonatooxyethyl)sulfonio]ethyl sulfate
InChI:
InChI=1S/C6H14O9S3.Na/c7-1-4-16(5-2-14-17(8,9)10)6-3-15-18(11,12)13;/h7H,1-6H2,(H-,8,9,10,11,12,13);/q;+1/p-1
InChI Key:
DWCNDGVFMRPXJK-UHFFFAOYSA-M
SMILES:
OCC[S+](CCOS(=O)(=O)[O-])CCOS(=O)(=O)[O-].[Na+]
EC Number:
288-864-7
Properties
Complexity:
338
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
347.962g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
348.331g/mol
Monoisotopic Mass:
347.962g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
171A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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