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6406-35-5 | 2-[2-[4-[[4-[(4-Ethoxyphenyl)azo]-7-sodiosulfo-1-naphthalenyl]azo]phenyl]benzothiazol-6-yl]-6-methylbenzothiazole-7-sulfonic acid sodium salt
CAS No: 6406-35-5 Catalog No: AG00ETDB MDL No:
Product Description
Catalog Number:
AG00ETDB
Chemical Name:
2-[2-[4-[[4-[(4-Ethoxyphenyl)azo]-7-sodiosulfo-1-naphthalenyl]azo]phenyl]benzothiazol-6-yl]-6-methylbenzothiazole-7-sulfonic acid sodium salt
CAS Number:
6406-35-5
IUPAC Name:
disodium;2-[2-[4-[[4-[(4-ethoxyphenyl)diazenyl]-7-sulfonatonaphthalen-1-yl]diazenyl]phenyl]-1,3-benzothiazol-6-yl]-6-methyl-1,3-benzothiazole-7-sulfonate
InChI:
InChI=1S/C39H28N6O7S4.2Na/c1-3-52-27-12-10-26(11-13-27)43-44-31-18-19-32(30-21-28(55(46,47)48)14-15-29(30)31)45-42-25-8-5-23(6-9-25)38-40-33-17-7-24(20-35(33)53-38)39-41-34-16-4-22(2)37(36(34)54-39)56(49,50)51;;/h4-21H,3H2,1-2H3,(H,46,47,48)(H,49,50,51);;/q;2*+1/p-2
InChI Key:
JNAZMORKATVTFY-UHFFFAOYSA-L
Properties
Complexity:
1590
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
864.054g/mol
Formal Charge:
0
Heavy Atom Count:
58
Hydrogen Bond Acceptor Count:
15
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
864.892g/mol
Monoisotopic Mass:
864.054g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
272A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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