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6104-53-6 | disodium 2'-[4-[[2,6-dihydroxy-3-[(4-sulphonatophenyl)azo]phenyl]azo]phenyl]-6-methyl[2,6'-bibenzothiazole]-7-sulphonate
CAS No: 6104-53-6 Catalog No: AG00EVFS MDL No:
Product Description
Catalog Number:
AG00EVFS
Chemical Name:
disodium 2'-[4-[[2,6-dihydroxy-3-[(4-sulphonatophenyl)azo]phenyl]azo]phenyl]-6-methyl[2,6'-bibenzothiazole]-7-sulphonate
CAS Number:
6104-53-6
IUPAC Name:
disodium;2-[2-[4-[[2,6-dihydroxy-3-[(4-sulfonatophenyl)diazenyl]phenyl]diazenyl]phenyl]-1,3-benzothiazol-6-yl]-6-methyl-1,3-benzothiazole-7-sulfonate
InChI:
InChI=1S/C33H22N6O8S4.2Na/c1-17-2-12-25-30(31(17)51(45,46)47)49-33(35-25)19-5-13-23-27(16-19)48-32(34-23)18-3-6-20(7-4-18)37-39-28-26(40)15-14-24(29(28)41)38-36-21-8-10-22(11-9-21)50(42,43)44;;/h2-16,40-41H,1H3,(H,42,43,44)(H,45,46,47);;/q;2*+1/p-2
InChI Key:
RZGZQZPIIISJQH-UHFFFAOYSA-L
EC Number:
228-056-3
Properties
Complexity:
1450
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
802.002g/mol
Formal Charge:
0
Heavy Atom Count:
53
Hydrogen Bond Acceptor Count:
16
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
802.777g/mol
Monoisotopic Mass:
802.002g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
303A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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