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63995-70-0 | Sodium 3,3',3''-phosphinetriyltribenzenesulfonate
CAS No: 63995-70-0 Catalog No: AG0039TH MDL No:MFCD00145472
Product Description
Catalog Number:
AG0039TH
Chemical Name:
Sodium 3,3',3''-phosphinetriyltribenzenesulfonate
CAS Number:
63995-70-0
Molecular Formula:
C18H12Na3O9PS3
Molecular Weight:
568.4206
MDL Number:
MFCD00145472
IUPAC Name:
trisodium;3-bis(3-sulfonatophenyl)phosphanylbenzenesulfonate
InChI:
InChI=1S/C18H15O9PS3.3Na/c19-29(20,21)16-7-1-4-13(10-16)28(14-5-2-8-17(11-14)30(22,23)24)15-6-3-9-18(12-15)31(25,26)27;;;/h1-12H,(H,19,20,21)(H,22,23,24)(H,25,26,27);;;/q;3*+1/p-3
InChI Key:
MYAJTCUQMQREFZ-UHFFFAOYSA-K
SMILES:
[O-]S(=O)(=O)c1cccc(c1)P(c1cccc(c1)S(=O)(=O)[O-])c1cccc(c1)S(=O)(=O)[O-].[Na+].[Na+].[Na+]
EC Number:
264-596-6
Properties
Complexity:
768
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
4
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
567.907g/mol
Formal Charge:
0
Heavy Atom Count:
34
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
568.408g/mol
Monoisotopic Mass:
567.907g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
197A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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