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63346-49-6 | tetrasodium 4,4'-bis[[4-(2-benzothiazolyl-6-methyl)sulphonatophenyl]azoxy]stilbene-2,2'-disulphonate
CAS No: 63346-49-6 Catalog No: AG00F5ZW MDL No:
Product Description
Catalog Number:
AG00F5ZW
Chemical Name:
tetrasodium 4,4'-bis[[4-(2-benzothiazolyl-6-methyl)sulphonatophenyl]azoxy]stilbene-2,2'-disulphonate
CAS Number:
63346-49-6
IUPAC Name:
tetrasodium;5-(1,3-benzothiazol-2-yl)-2-[[[4-[(E)-2-[4-[[4-(1,3-benzothiazol-2-yl)-2-methyl-6-sulfonatophenyl]imino-oxidoazaniumyl]-2-sulfonatophenyl]ethenyl]-3-sulfonatophenyl]-oxidoazaniumylidene]amino]-3-methylbenzenesulfonate
InChI:
InChI=1S/C42H30N6O14S6.4Na/c1-23-17-27(41-43-31-7-3-5-9-33(31)63-41)19-37(67(57,58)59)39(23)45-47(49)29-15-13-25(35(21-29)65(51,52)53)11-12-26-14-16-30(22-36(26)66(54,55)56)48(50)46-40-24(2)18-28(20-38(40)68(60,61)62)42-44-32-8-4-6-10-34(32)64-42;;;;/h3-22H,1-2H3,(H,51,52,53)(H,54,55,56)(H,57,58,59)(H,60,61,62);;;;/q;4*+1/p-4/b12-11+,47-45?,48-46?;;;;
InChI Key:
FXHKTENYHCOKAE-FYMABUFDSA-J
EC Number:
264-107-6
Properties
Complexity:
2140
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
5
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
1121.942g/mol
Formal Charge:
0
Heavy Atom Count:
72
Hydrogen Bond Acceptor Count:
20
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
1123.017g/mol
Monoisotopic Mass:
1121.942g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
427A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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