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12220-30-3 | 2-Naphthalenesulfonic acid, 6-amino-5-[2-[5-chloro-2-[(4-methylphenyl)sulfonyl]phenyl]diazenyl]-4-hydroxy-, sodium salt (1:1)
CAS No: 12220-30-3 Catalog No: AG0016Y9 MDL No:
Product Description
Catalog Number:
AG0016Y9
Chemical Name:
2-Naphthalenesulfonic acid, 6-amino-5-[2-[5-chloro-2-[(4-methylphenyl)sulfonyl]phenyl]diazenyl]-4-hydroxy-, sodium salt (1:1)
CAS Number:
12220-30-3
Molecular Formula:
C23H17ClN3NaO6S2
Molecular Weight:
553.9703
IUPAC Name:
sodium;6-amino-5-[[5-chloro-2-(4-methylphenyl)sulfonylphenyl]diazenyl]-4-hydroxynaphthalene-2-sulfonate
InChI:
InChI=1S/C23H18ClN3O6S2.Na/c1-13-2-6-16(7-3-13)34(29,30)21-9-5-15(24)11-19(21)26-27-23-18(25)8-4-14-10-17(35(31,32)33)12-20(28)22(14)23;/h2-12,28H,25H2,1H3,(H,31,32,33);/q;+1/p-1
InChI Key:
QKIDNBBAHNGCKV-UHFFFAOYSA-M
SMILES:
Clc1ccc(c(c1)N=Nc1c(N)ccc2c1c(O)cc(c2)S(=O)(=O)[O-])S(=O)(=O)c1ccc(cc1)C.[Na+]
EC Number:
602-059-3
Properties
Complexity:
981
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
553.014g/mol
Formal Charge:
0
Heavy Atom Count:
36
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
553.964g/mol
Monoisotopic Mass:
553.014g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
179A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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