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85099-38-3 | tetrasodium 2,2'-[carbonylbis[imino(2-methyl-p-phenylene)azo(3-sulphonato-p-phenylene)]]bis[6-methylbenzothiazole-7-sulphonate]
CAS No: 85099-38-3 Catalog No: AG00GKRG MDL No:
Product Description
Catalog Number:
AG00GKRG
Chemical Name:
tetrasodium 2,2'-[carbonylbis[imino(2-methyl-p-phenylene)azo(3-sulphonato-p-phenylene)]]bis[6-methylbenzothiazole-7-sulphonate]
CAS Number:
85099-38-3
IUPAC Name:
tetrasodium;6-methyl-2-[4-[[2-methyl-4-[[3-methyl-4-[[4-(6-methyl-7-sulfonato-1,3-benzothiazol-2-yl)-2-sulfonatophenyl]diazenyl]phenyl]carbamoylamino]phenyl]diazenyl]-3-sulfonatophenyl]-1,3-benzothiazole-7-sulfonate
InChI:
InChI=1S/C43H34N8O13S6.4Na/c1-21-5-11-33-37(39(21)69(59,60)61)65-41(46-33)25-7-13-31(35(19-25)67(53,54)55)50-48-29-15-9-27(17-23(29)3)44-43(52)45-28-10-16-30(24(4)18-28)49-51-32-14-8-26(20-36(32)68(56,57)58)42-47-34-12-6-22(2)40(38(34)66-42)70(62,63)64;;;;/h5-20H,1-4H3,(H2,44,45,52)(H,53,54,55)(H,56,57,58)(H,59,60,61)(H,62,63,64);;;;/q;4*+1/p-4
InChI Key:
LYSPTSQQNJFEIX-UHFFFAOYSA-J
EC Number:
285-494-8
Properties
Complexity:
2170
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
5
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
1149.985g/mol
Formal Charge:
0
Heavy Atom Count:
74
Hydrogen Bond Acceptor Count:
21
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
1151.075g/mol
Monoisotopic Mass:
1149.985g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
435A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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