2,7-Naphthalenedisulfonic acid, 4-hydroxy-5-[2-[4-[2-[4-[2-[1-hydroxy-6-(phenylamino)-3-sulfo-2-naphthalenyl]diazenyl]-6-sulfo-1-naphthalenyl]diazenyl]-1-naphthalenyl]diazenyl]-, sodium salt (1:4)

CAS Registry Number®

6252-57-9

CAS Name

2,7-Naphthalenedisulfonic acid, 4-hydroxy-5-[2-[4-[2-[4-[2-[1-hydroxy-6-(phenylamino)-3-sulfo-2-naphthalenyl]diazenyl]-6-sulfo-1-naphthalenyl]diazenyl]-1-naphthalenyl]diazenyl]-, sodium salt (1:4)

Molecular Formula

C46H31N7O14S4.4Na

Cite this Page

2,7-Naphthalenedisulfonic acid, 4-hydroxy-5-[2-[4-[2-[4-[2-[1-hydroxy-6-(phenylamino)-3-sulfo-2-naphthalenyl]diazenyl]-6-sulfo-1-naphthalenyl]diazenyl]-1-naphthalenyl]diazenyl]-, sodium salt (1:4).   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=6252-57-9 (retrieved 2024-12-23) (CAS RN: 6252-57-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C46H31N7O14S4.4Na/c54-42-24-31(70(62,63)64)20-26-19-30(69(59,60)61)23-41(44(26)42)52-50-38-15-14-37(33-8-4-5-9-34(33)38)48-49-39-16-17-40(36-22-29(68(56,57)58)11-13-35(36)39)51-53-45-43(71(65,66)67)21-25-18-28(10-12-32(25)46(45)55)47-27-6-2-1-3-7-27;;;;/h1-24,47,54-55H,(H,56,57,58)(H,59,60,61)(H,62,63,64)(H,65,66,67);;;;

InChIKey

InChIKey=UPUQGUARDFDBPT-UHFFFAOYSA-N

SMILES

N(=NC=1C(S(=O)(=O)O)=CC2=C(C1O)C=CC(NC3=CC=CC=C3)=C2)C=4C5=C(C(N=NC=6C7=C(C(N=NC=8C9=C(C=C(S(=O)(=O)O)C8)C=C(S(=O)(=O)O)C=C9O)=CC6)C=CC=C7)=CC4)C=CC(S(=O)(=O)O)=C5.[Na]

Canonical SMILES

[Na].O=S(=O)(O)C=1C=CC=2C(N=NC3=CC=C(N=NC=4C=C(C=C5C=C(C=C(O)C45)S(=O)(=O)O)S(=O)(=O)O)C=6C=CC=CC36)=CC=C(N=NC=7C(O)=C8C=CC(=CC8=CC7S(=O)(=O)O)NC=9C=CC=CC9)C2C1

Other Names for this Substance

  • 2,7-Naphthalenedisulfonic acid, 4-hydroxy-5-[2-[4-[2-[4-[2-[1-hydroxy-6-(phenylamino)-3-sulfo-2-naphthalenyl]diazenyl]-6-sulfo-1-naphthalenyl]diazenyl]-1-naphthalenyl]diazenyl]-, sodium salt (1:4)
  • C.I. Direct Blue 81, tetrasodium salt
  • C.I. Direct Blue 81
  • 2,7-Naphthalenedisulfonic acid, 4-hydroxy-5-[[4-[[4-[[1-hydroxy-6-(phenylamino)-3-sulfo-2-naphthalenyl]azo]-6-sulfo-1-naphthalenyl]azo]-1-naphthalenyl]azo]-, tetrasodium salt
  • C.I. 34215

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CAS INSIGHTSTM
Pile of blue, green, and white color of capsule pills with modern design light.