2-[2-[6-[[4-(Ethylphenylamino)-6-fluoro-1,3,5-triazin-2-yl]amino]-1-hydroxy-3-sulfo-2-naphthalenyl]diazenyl]-1,5-naphthalenedisulfonic acid

CAS Registry Number®

93778-51-9

CAS Name

2-[2-[6-[[4-(Ethylphenylamino)-6-fluoro-1,3,5-triazin-2-yl]amino]-1-hydroxy-3-sulfo-2-naphthalenyl]diazenyl]-1,5-naphthalenedisulfonic acid

Molecular Formula

C31H24FN7O10S3

Molecular Mass

769.76

Cite this Page

2-[2-[6-[[4-(Ethylphenylamino)-6-fluoro-1,3,5-triazin-2-yl]amino]-1-hydroxy-3-sulfo-2-naphthalenyl]diazenyl]-1,5-naphthalenedisulfonic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=93778-51-9 (retrieved 2024-10-06) (CAS RN: 93778-51-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C31H24FN7O10S3/c1-2-39(19-7-4-3-5-8-19)31-35-29(32)34-30(36-31)33-18-11-12-20-17(15-18)16-25(51(44,45)46)26(27(20)40)38-37-23-14-13-21-22(28(23)52(47,48)49)9-6-10-24(21)50(41,42)43/h3-16,40H,2H2,1H3,(H,41,42,43)(H,44,45,46)(H,47,48,49)(H,33,34,35,36)

InChIKey

InChIKey=QKYFSRKMWXEBDB-UHFFFAOYSA-N

SMILES

S(=O)(=O)(O)C=1C2=C(C(S(=O)(=O)O)=CC=C2)C=CC1N=NC=3C(S(=O)(=O)O)=CC4=C(C3O)C=CC(NC=5N=C(N(CC)C6=CC=CC=C6)N=C(F)N5)=C4

Canonical SMILES

O=S(=O)(O)C1=CC=CC=2C1=CC=C(N=NC=3C(O)=C4C=CC(=CC4=CC3S(=O)(=O)O)NC5=NC(F)=NC(=N5)N(C=6C=CC=CC6)CC)C2S(=O)(=O)O

Other Names for this Substance

  • 1,5-Naphthalenedisulfonic acid, 2-[2-[6-[[4-(ethylphenylamino)-6-fluoro-1,3,5-triazin-2-yl]amino]-1-hydroxy-3-sulfo-2-naphthalenyl]diazenyl]-
  • 1,5-Naphthalenedisulfonic acid, 2-[[6-[[4-(ethylphenylamino)-6-fluoro-1,3,5-triazin-2-yl]amino]-1-hydroxy-3-sulfo-2-naphthalenyl]azo]-
  • 2-[2-[6-[[4-(Ethylphenylamino)-6-fluoro-1,3,5-triazin-2-yl]amino]-1-hydroxy-3-sulfo-2-naphthalenyl]diazenyl]-1,5-naphthalenedisulfonic acid

CAS INSIGHTSTM
© Nobel Prize Outreach. Photo: Hugh Fox