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59895-79-3 | 2,4-BIS[5,6-DI(P-SULFOPHENYL)-1,2,4-TRIAZIN-3-YL]PYRIDINE TETRASODIUM SALT
CAS No: 59895-79-3 Catalog No: AG00EDFM MDL No:
Product Description
Catalog Number:
AG00EDFM
Chemical Name:
2,4-BIS[5,6-DI(P-SULFOPHENYL)-1,2,4-TRIAZIN-3-YL]PYRIDINE TETRASODIUM SALT
CAS Number:
59895-79-3
IUPAC Name:
tetrasodium;4-[3-[2-[5,6-bis(4-sulfonatophenyl)-1,2,4-triazin-3-yl]pyridin-4-yl]-6-(4-sulfonatophenyl)-1,2,4-triazin-5-yl]benzenesulfonate
InChI:
InChI=1S/C35H23N7O12S4.4Na/c43-55(44,45)25-9-1-20(2-10-25)30-32(22-5-13-27(14-6-22)57(49,50)51)39-41-34(37-30)24-17-18-36-29(19-24)35-38-31(21-3-11-26(12-4-21)56(46,47)48)33(40-42-35)23-7-15-28(16-8-23)58(52,53)54;;;;/h1-19H,(H,43,44,45)(H,46,47,48)(H,49,50,51)(H,52,53,54);;;;/q;4*+1/p-4
InChI Key:
ALGXFKWNZFUOCI-UHFFFAOYSA-J
EC Number:
261-975-8
Properties
Complexity:
1770
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
5
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
948.957g/mol
Formal Charge:
0
Heavy Atom Count:
62
Hydrogen Bond Acceptor Count:
19
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
949.773g/mol
Monoisotopic Mass:
948.957g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
353A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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