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85188-16-5 | SODIUM 2-(4-((2,4-DIHYDROXY-5-(PHENYLAZO)PHENYL)AZO)PHENYL)-6-METHYLBENZO[D]THIAZOLE-7-SULFONATE
CAS No: 85188-16-5 Catalog No: AG004QH0 MDL No:
Product Description
Catalog Number:
AG004QH0
Chemical Name:
SODIUM 2-(4-((2,4-DIHYDROXY-5-(PHENYLAZO)PHENYL)AZO)PHENYL)-6-METHYLBENZO[D]THIAZOLE-7-SULFONATE
CAS Number:
85188-16-5
Molecular Formula:
C26H18N5NaO5S2
Molecular Weight:
567.5714
IUPAC Name:
sodium;2-[4-[(2,4-dihydroxy-5-phenyldiazenylphenyl)diazenyl]phenyl]-6-methyl-1,3-benzothiazole-7-sulfonate
InChI:
InChI=1S/C26H19N5O5S2.Na/c1-15-7-12-19-24(25(15)38(34,35)36)37-26(27-19)16-8-10-18(11-9-16)29-31-21-13-20(22(32)14-23(21)33)30-28-17-5-3-2-4-6-17;/h2-14,32-33H,1H3,(H,34,35,36);/q;+1/p-1
InChI Key:
GNMOJAWGQFUNIW-UHFFFAOYSA-M
SMILES:
Oc1cc(O)c(cc1N=Nc1ccc(cc1)c1nc2c(s1)c(c(cc2)C)S(=O)(=O)[O-])N=Nc1ccccc1.[Na+]
EC Number:
286-206-3
Properties
Complexity:
955
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
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:
197A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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