Direct Blue 76
CAS Registry Number®
CAS Name
Direct Blue 76Molecular Formula
C32H16Cu2N6O16S4.4NaCite this Page
Direct Blue 76. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/detail?cas_rn=16143-79-6 (retrieved ) (CAS RN: 16143-79-6). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Other Names and Identifiers
InChI
InChI=1S/C32H24N6O16S4.2Cu.4Na/c33-29-25(57(49,50)51)11-23(55(43,44)45)15-3-7-19(31(41)27(15)29)37-35-17-5-1-13(9-21(17)39)14-2-6-18(22(40)10-14)36-38-20-8-4-16-24(56(46,47)48)12-26(58(52,53)54)30(34)28(16)32(20)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=RTXWGCFBOYSLIQ-UHFFFAOYSA-F
SMILES
NC=1C2=C3C([N]=4[Cu+2]([O-]3)[O-]C=5C(N4)=CC=C(C5)C=6C=C7C(=CC6)N=[N]8[Cu+2]([O-]7)[O-]C=9C8=CC=C%10C9C(N)=C(S(=O)(=O)[O-])C=C%10S(=O)(=O)[O-])=CC=C2C(S(=O)(=O)[O-])=CC1S(=O)(=O)[O-].[Na+]
Canonical SMILES
[Na+].O=S(=O)([O-])C=1C=C(C=2C=CC3=C([O-][Cu+2]4[O-]C=5C=C(C=CC5N=[N]34)C6=CC=C7N=[N]8C=9C=CC%10=C(C9[O-][Cu+2]8[O-]C7=C6)C(N)=C(C=C%10S(=O)(=O)[O-])S(=O)(=O)[O-])C2C1N)S(=O)(=O)[O-]
Other Names for this Substance
- Cuprate(4-), [μ-[[6,6′-[[3,3′-di(hydroxy-κO)[1,1′-biphenyl]-4,4′-diyl]bis(2,1-diazenediyl-κN1)]bis[4-amino-5-(hydroxy-κO)-1,3-naphthalenedisulfonato]](8-)]]di-, sodium (1:4)
- C.I. Direct Blue 76, tetrasodium salt
- Cuprate(4-), [μ-[[6,6′-[(3,3′-dihydroxy[1,1′-biphenyl]-4,4′-diyl)bis(azo)]bis[4-amino-5-hydroxy-1,3-naphthalenedisulfonato]](8-)]]di-, tetrasodium
- Copper, [tetrahydrogen 6,6′-[(3,3′-dihydroxy-4,4′-biphenylylene)bis(azo)]bis[4-amino-5-hydroxy-1,3-naphthalenedisulfonato(4-)]]di-, tetrasodium salt
- 1-Naphthol-5,7-disulfonic acid, 2,2′-(3,3′-dihydroxy-4,4′-biphenylylenebisazo)bis[8-amino-, dicopper deriv., tetrasodium salt
Deleted or Replaced CAS Registry Numbers
1325-28-6, 12237-59-1, 50814-30-7, 50922-31-1
