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5863-88-7 | sodium 2'-[4-[[2,4-dihydroxy-3-(phenylazo)phenyl]azo]phenyl]-6-methyl[2,6'-bibenzothiazole]-7-sulphonate
CAS No: 5863-88-7 Catalog No: AG00EZRY MDL No:
Product Description
Catalog Number:
AG00EZRY
Chemical Name:
sodium 2'-[4-[[2,4-dihydroxy-3-(phenylazo)phenyl]azo]phenyl]-6-methyl[2,6'-bibenzothiazole]-7-sulphonate
CAS Number:
5863-88-7
IUPAC Name:
sodium;2-[2-[4-[(2,4-dihydroxy-3-phenyldiazenylphenyl)diazenyl]phenyl]-1,3-benzothiazol-6-yl]-6-methyl-1,3-benzothiazole-7-sulfonate
InChI:
InChI=1S/C33H22N6O5S3.Na/c1-18-7-13-25-30(31(18)47(42,43)44)46-33(35-25)20-10-14-23-27(17-20)45-32(34-23)19-8-11-22(12-9-19)36-38-24-15-16-26(40)28(29(24)41)39-37-21-5-3-2-4-6-21;/h2-17,40-41H,1H3,(H,42,43,44);/q;+1/p-1
InChI Key:
QGAKSIUZYIIJGH-UHFFFAOYSA-M
EC Number:
227-516-0
Properties
Complexity:
1230
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
700.063g/mol
Formal Charge:
0
Heavy Atom Count:
48
Hydrogen Bond Acceptor Count:
13
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
700.738g/mol
Monoisotopic Mass:
700.063g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
238A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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