Brilliant black

CAS Registry Number®

4197-00-6

CAS Name

Brilliant black

Molecular Formula

C30H20N4O13S4.4Na

Cite this Page

Brilliant black.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=4197-00-6 (retrieved 2024-11-22) (CAS RN: 4197-00-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C30H20N4O13S4.4Na/c35-30-28(51(45,46)47)13-17-12-19(48(36,37)38)7-8-21(17)29(30)34-33-26-10-9-25(22-3-1-2-4-23(22)26)32-31-18-6-5-16-11-20(49(39,40)41)15-27(24(16)14-18)50(42,43)44;;;;/h1-15,35H,(H,36,37,38)(H,39,40,41)(H,42,43,44)(H,45,46,47);;;;

InChIKey

InChIKey=YFYDACLVOFDLTI-UHFFFAOYSA-N

SMILES

N(=NC=1C2=C(C(N=NC3=CC4=C(C=C3)C=C(S(=O)(=O)O)C=C4S(=O)(=O)O)=CC1)C=CC=C2)C=5C6=C(C=C(S(=O)(=O)O)C5O)C=C(S(=O)(=O)O)C=C6.[Na]

Canonical SMILES

[Na].O=S(=O)(O)C=1C=CC=2C(C1)=CC(=C(O)C2N=NC3=CC=C(N=NC4=CC=C5C=C(C=C(C5=C4)S(=O)(=O)O)S(=O)(=O)O)C=6C=CC=CC36)S(=O)(=O)O

Other Names for this Substance

  • 1,3-Naphthalenedisulfonic acid, 7-[2-[4-[2-(2-hydroxy-3,6-disulfo-1-naphthalenyl)diazenyl]-1-naphthalenyl]diazenyl]-, sodium salt (1:4)
  • C.I. Acid Black 3, tetrasodium salt
  • C.I. Acid Black 3
  • 1,3-Naphthalenedisulfonic acid, 7-[[4-[(2-hydroxy-3,6-disulfo-1-naphthalenyl)azo]-1-naphthalenyl]azo]-, tetrasodium salt
  • C.I. 27260

CAS INSIGHTSTM
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