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10142-78-6 | 1-Naphthalenesulfonic acid, 8-[(4-methylphenyl)amino]-5-[2-[4-[2-(5-sulfo-1-naphthalenyl)diazenyl]-1-naphthalenyl]diazenyl]-, sodium salt (1:2)
CAS No: 10142-78-6 Catalog No: AG0004GE MDL No:
Product Description
Catalog Number:
AG0004GE
Chemical Name:
1-Naphthalenesulfonic acid, 8-[(4-methylphenyl)amino]-5-[2-[4-[2-(5-sulfo-1-naphthalenyl)diazenyl]-1-naphthalenyl]diazenyl]-, sodium salt (1:2)
CAS Number:
10142-78-6
Molecular Formula:
C37H26N5Na2O6S2+
Molecular Weight:
746.7418
IUPAC Name:
disodium;8-(4-methylanilino)-5-[[4-[(5-sulfonatonaphthalen-1-yl)diazenyl]naphthalen-1-yl]diazenyl]naphthalene-1-sulfonate
InChI:
InChI=1S/C37H27N5O6S2.2Na/c1-23-15-17-24(18-16-23)38-34-22-21-33(29-11-6-14-36(37(29)34)50(46,47)48)42-41-32-20-19-31(25-7-2-3-8-26(25)32)40-39-30-12-4-10-28-27(30)9-5-13-35(28)49(43,44)45;;/h2-22,38H,1H3,(H,43,44,45)(H,46,47,48);;/q;2*+1/p-2
InChI Key:
IQBGPEXPWQFLMJ-UHFFFAOYSA-L
SMILES:
Cc1ccc(cc1)Nc1ccc(c2c1c(ccc2)S(=O)(=O)[O-])N=Nc1ccc(c2c1cccc2)N=Nc1cccc2c1cccc2S(=O)(=O)O.[Na+].[Na+]
EC Number:
233-404-2
Properties
Complexity:
1400
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
745.104g/mol
Formal Charge:
0
Heavy Atom Count:
52
Hydrogen Bond Acceptor Count:
11
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
745.736g/mol
Monoisotopic Mass:
745.104g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
193A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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