Direct Blue 71

CAS Registry Number®

4399-55-7

CAS Name

Direct Blue 71

Molecular Formula

C40H27N7O13S4.4Na

Cite this Page

Direct Blue 71.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=4399-55-7 (retrieved 2024-11-22) (CAS RN: 4399-55-7).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C40H27N7O13S4.4Na/c41-22-8-10-25-21(16-22)17-38(64(58,59)60)39(40(25)48)47-46-35-15-14-34(28-11-9-24(20-30(28)35)61(49,50)51)45-44-33-13-12-32(26-4-1-2-5-27(26)33)43-42-23-18-31-29(37(19-23)63(55,56)57)6-3-7-36(31)62(52,53)54;;;;/h1-20,48H,41H2,(H,49,50,51)(H,52,53,54)(H,55,56,57)(H,58,59,60);;;;

InChIKey

InChIKey=UMARPGGIFGZVCN-UHFFFAOYSA-N

SMILES

N(=NC=1C(S(=O)(=O)O)=CC2=C(C1O)C=CC(N)=C2)C=3C4=C(C(N=NC=5C6=C(C(N=NC7=CC8=C(C(S(=O)(=O)O)=C7)C=CC=C8S(=O)(=O)O)=CC5)C=CC=C6)=CC3)C=CC(S(=O)(=O)O)=C4.[Na]

Canonical SMILES

[Na].O=S(=O)(O)C=1C=CC=2C(N=NC3=CC=C(N=NC=4C=C5C(C=CC=C5S(=O)(=O)O)=C(C4)S(=O)(=O)O)C=6C=CC=CC36)=CC=C(N=NC=7C(O)=C8C=CC(N)=CC8=CC7S(=O)(=O)O)C2C1

Other Names for this Substance

  • 1,5-Naphthalenedisulfonic acid, 3-[2-[4-[2-[4-[2-(6-amino-1-hydroxy-3-sulfo-2-naphthalenyl)diazenyl]-6-sulfo-1-naphthalenyl]diazenyl]-1-naphthalenyl]diazenyl]-, sodium salt (1:4)
  • C.I. Direct Blue 71
  • Saturn Blue LBRR
  • C.I. Direct Blue 71, tetrasodium salt
  • 1,5-Naphthalenedisulfonic acid, 3-[[4-[[4-[(6-amino-1-hydroxy-3-sulfo-2-naphthalenyl)azo]-6-sulfo-1-naphthalenyl]azo]-1-naphthalenyl]azo]-, tetrasodium salt

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Deleted or Replaced CAS Registry Numbers

147516-25-4, 201749-68-0

CAS INSIGHTSTM
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