C.I. Direct Blue 218
CAS Registry Number®
CAS Name
C.I. Direct Blue 218Molecular Formula
C32H16Cu2N6O16S4.4NaCite this Page
C.I. Direct Blue 218. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/detail?cas_rn=28407-37-6 (retrieved ) (CAS RN: 28407-37-6). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Other Names and Identifiers
InChI
InChI=1S/C32H24N6O16S4.2Cu.4Na/c33-19-11-17(55(43,44)45)5-15-9-25(57(49,50)51)29(31(41)27(15)19)37-35-21-3-1-13(7-23(21)39)14-2-4-22(24(40)8-14)36-38-30-26(58(52,53)54)10-16-6-18(56(46,47)48)12-20(34)28(16)32(30)42;;;;;;/h1-12,39-42H,33-34H2,(H,43,44,45)(H,46,47,48)(H,49,50,51)(H,52,53,54);;;;;;/q;2*+2;4*+1/p-8
InChIKey
InChIKey=GWEZPAIPHHUMTI-UHFFFAOYSA-F
SMILES
S(=O)(=O)([O-])C1=C2C(=C3C(=C1)C=C(S(=O)(=O)[O-])C=C3N)[O-][Cu+2]4[N]2=NC=5C([O-]4)=CC(=CC5)C=6C=C7C(=CC6)N=[N]8[Cu+2]([O-]7)[O-]C=9C8=C(S(=O)(=O)[O-])C=C%10C9C(N)=CC(S(=O)(=O)[O-])=C%10.[Na+]
Canonical SMILES
[Na+].O=S(=O)([O-])C=1C=C(N)C=2C(C1)=CC(=C3C2[O-][Cu+2]4[O-]C=5C=C(C=CC5N=[N]34)C6=CC=C7N=[N]8C=9C([O-][Cu+2]8[O-]C7=C6)=C%10C(N)=CC(=CC%10=CC9S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-]
Other Names for this Substance
- Cuprate(4-), [μ-[[3,3′-[[3,3′-di(hydroxy-κO)[1,1′-biphenyl]-4,4′-diyl]bis(2,1-diazenediyl-κN1)]bis[5-amino-4-(hydroxy-κO)-2,7-naphthalenedisulfonato]](8-)]]di-, sodium (1:4)
- Cuprate(4-), [μ-[[3,3′-[(3,3′-dihydroxy[1,1′-biphenyl]-4,4′-diyl)bis(azo)]bis[5-amino-4-hydroxy-2,7-naphthalenedisulfonato]](8-)]]di-, tetrasodium
- C.I. Direct Blue 218
- Copper, [tetrahydrogen-3,3′-[(3,3′-dihydroxy-4,4′-biphenylylene)bis(azo)]bis[5-amino-4-hydroxy-2,7-naphthalenedisulfonato](4-)]di-, tetrasodium salt
- 1-Naphthol-3,6-disulfonic acid, 2,2′-(3,3′-dihydroxy-4,4′-biphenylylenebisazo)bis[8-amino-, dicopper deriv., tetrasodium salt
Deleted or Replaced CAS Registry Numbers
10401-50-0, 23909-66-2, 27569-07-9, 72882-28-1, 190258-21-0
