1,7-Naphthalenedisulfonic acid, 4-(benzoylamino)-5-hydroxy-6-[2-[1-sulfo-6-[[2-(sulfooxy)ethyl]sulfonyl]-2-naphthalenyl]diazenyl]-, sodium salt (1:4)

CAS Registry Number®

82199-13-1

CAS Name

1,7-Naphthalenedisulfonic acid, 4-(benzoylamino)-5-hydroxy-6-[2-[1-sulfo-6-[[2-(sulfooxy)ethyl]sulfonyl]-2-naphthalenyl]diazenyl]-, sodium salt (1:4)

Molecular Formula

C29H23N3O17S5.4Na

Molecular Mass

937.79

Cite this Page

1,7-Naphthalenedisulfonic acid, 4-(benzoylamino)-5-hydroxy-6-[2-[1-sulfo-6-[[2-(sulfooxy)ethyl]sulfonyl]-2-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=82199-13-1 (retrieved 2025-03-12) (CAS RN: 82199-13-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C29H23N3O17S5.4Na/c33-27-25-20(23(51(37,38)39)11-10-21(25)30-29(34)16-4-2-1-3-5-16)15-24(52(40,41)42)26(27)32-31-22-9-6-17-14-18(7-8-19(17)28(22)53(43,44)45)50(35,36)13-12-49-54(46,47)48;;;;/h1-11,14-15,33H,12-13H2,(H,30,34)(H,37,38,39)(H,40,41,42)(H,43,44,45)(H,46,47,48);;;;

InChIKey

InChIKey=FHZAVHYVWLOKKU-UHFFFAOYSA-N

SMILES

S(=O)(=O)(O)C=1C2=C(C(NC(=O)C3=CC=CC=C3)=CC1)C(O)=C(N=NC4=C(S(=O)(=O)O)C5=C(C=C4)C=C(S(CCOS(=O)(=O)O)(=O)=O)C=C5)C(S(=O)(=O)O)=C2.[Na]

Canonical SMILES

[Na].O=C(NC1=CC=C(C=2C=C(C(N=NC=3C=CC4=CC(=CC=C4C3S(=O)(=O)O)S(=O)(=O)CCOS(=O)(=O)O)=C(O)C12)S(=O)(=O)O)S(=O)(=O)O)C=5C=CC=CC5

Other Names for this Substance

  • 1,7-Naphthalenedisulfonic acid, 4-(benzoylamino)-5-hydroxy-6-[2-[1-sulfo-6-[[2-(sulfooxy)ethyl]sulfonyl]-2-naphthalenyl]diazenyl]-, sodium salt (1:4)
  • 1,7-Naphthalenedisulfonic acid, 4-(benzoylamino)-5-hydroxy-6-[[1-sulfo-6-[[2-(sulfooxy)ethyl]sulfonyl]-2-naphthalenyl]azo]-, tetrasodium salt

CAS INSIGHTSTM
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