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28678-55-9 | Benzenesulfonic acid, didodecyl-, sodium salt (1:1)
CAS No: 28678-55-9 Catalog No: AG002W1L MDL No:
Product Description
Catalog Number:
AG002W1L
Chemical Name:
Benzenesulfonic acid, didodecyl-, sodium salt (1:1)
CAS Number:
28678-55-9
Molecular Formula:
C30H53NaO3S
Molecular Weight:
516.7948
IUPAC Name:
sodium;2,3-didodecylbenzenesulfonate
InChI:
InChI=1S/C30H54O3S.Na/c1-3-5-7-9-11-13-15-17-19-21-24-28-25-23-27-30(34(31,32)33)29(28)26-22-20-18-16-14-12-10-8-6-4-2;/h23,25,27H,3-22,24,26H2,1-2H3,(H,31,32,33);/q;+1/p-1
InChI Key:
JRVWRMFPTWOUNN-UHFFFAOYSA-M
SMILES:
CCCCCCCCCCCCc1cccc(c1CCCCCCCCCCCC)S(=O)(=O)[O-].[Na+]
EC Number:
249-147-4
Properties
Complexity:
546
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
516.361g/mol
Formal Charge:
0
Heavy Atom Count:
35
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
516.801g/mol
Monoisotopic Mass:
516.361g/mol
Rotatable Bond Count:
23
Topological Polar Surface Area:
65.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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