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5915-59-3 | sodium 2-[4-[[2,4-dihydroxy-3-(phenylazo)phenyl]azo]phenyl]-6-methylbenzothiazole-7-sulphonate
CAS No: 5915-59-3 Catalog No: AG00F00D MDL No:
Product Description
Catalog Number:
AG00F00D
Chemical Name:
sodium 2-[4-[[2,4-dihydroxy-3-(phenylazo)phenyl]azo]phenyl]-6-methylbenzothiazole-7-sulphonate
CAS Number:
5915-59-3
IUPAC Name:
sodium;2-[4-[(2E)-2-[(5E)-4,6-dioxo-5-(phenylhydrazinylidene)cyclohex-2-en-1-ylidene]hydrazinyl]phenyl]-6-methyl-1,3-benzothiazole-7-sulfonate
InChI:
InChI=1S/C26H19N5O5S2.Na/c1-15-7-12-20-24(25(15)38(34,35)36)37-26(27-20)16-8-10-18(11-9-16)28-30-19-13-14-21(32)22(23(19)33)31-29-17-5-3-2-4-6-17;/h2-14,28-29H,1H3,(H,34,35,36);/q;+1/p-1/b30-19+,31-22+;
InChI Key:
WRIVFXCGODXTEG-CWJMRTADSA-M
EC Number:
227-638-4
Properties
Complexity:
1110
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
2
Exact Mass:
567.065g/mol
Formal Charge:
0
Heavy Atom Count:
39
Hydrogen Bond Acceptor Count:
11
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
567.57g/mol
Monoisotopic Mass:
567.065g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
190A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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