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85865-93-6 | Benzenesulfonic acid, tetracosyl-,magnesium salt (9CI)
CAS No: 85865-93-6 Catalog No: AG004NIE MDL No:
Product Description
Catalog Number:
AG004NIE
Chemical Name:
Benzenesulfonic acid, tetracosyl-,magnesium salt (9CI)
CAS Number:
85865-93-6
Molecular Formula:
C60H106MgO6S2
Molecular Weight:
1011.9150
IUPAC Name:
magnesium;2-tetracosylbenzenesulfonate
InChI:
InChI=1S/2C30H54O3S.Mg/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-26-29-27-24-25-28-30(29)34(31,32)33;/h2*24-25,27-28H,2-23,26H2,1H3,(H,31,32,33);/q;;+2/p-2
InChI Key:
DVLCZMKTVXJJDP-UHFFFAOYSA-L
SMILES:
CCCCCCCCCCCCCCCCCCCCCCCCc1ccccc1S(=O)(=O)[O-].CCCCCCCCCCCCCCCCCCCCCCCCc1ccccc1S(=O)(=O)[O-].[Mg+2]
EC Number:
288-693-8
Properties
Complexity:
512
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
1010.728g/mol
Formal Charge:
0
Heavy Atom Count:
69
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
1011.927g/mol
Monoisotopic Mass:
1010.728g/mol
Rotatable Bond Count:
46
Topological Polar Surface Area:
131A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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