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12627-38-2 | Poly(oxy-1,2-ethanediyl), α-sulfo-ω-[4-(1,1,3,3-tetramethylbutyl)phenoxy]-, sodium salt (1:1)
CAS No: 12627-38-2 Catalog No: AG000SGL MDL No:
Product Description
Catalog Number:
AG000SGL
Chemical Name:
Poly(oxy-1,2-ethanediyl), α-sulfo-ω-[4-(1,1,3,3-tetramethylbutyl)phenoxy]-, sodium salt (1:1)
CAS Number:
12627-38-2
Molecular Formula:
C16H25NaO5S
Molecular Weight:
352.4215
IUPAC Name:
sodium;2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethyl sulfate
InChI:
InChI=1S/C16H26O5S.Na/c1-15(2,3)12-16(4,5)13-6-8-14(9-7-13)20-10-11-21-22(17,18)19;/h6-9H,10-12H2,1-5H3,(H,17,18,19);/q;+1/p-1
InChI Key:
PQSPZTWMLBELMD-UHFFFAOYSA-M
SMILES:
CC(c1ccc(cc1)OCCOS(=O)(=O)[O-])(CC(C)(C)C)C.[Na+]
Properties
Complexity:
428
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
352.132g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
352.421g/mol
Monoisotopic Mass:
352.132g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
84A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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