2-Anthracenesulfonic acid, 1-amino-4-[[3-[[4-chloro-6-[(3-sulfophenyl)amino]-1,3,5-triazin-2-yl]amino]-4-sulfophenyl]amino]-9,10-dihydro-9,10-dioxo-, sodium salt (1:3)

CAS Registry Number®

23422-12-0
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CAS Name

2-Anthracenesulfonic acid, 1-amino-4-[[3-[[4-chloro-6-[(3-sulfophenyl)amino]-1,3,5-triazin-2-yl]amino]-4-sulfophenyl]amino]-9,10-dihydro-9,10-dioxo-, sodium salt (1:3)

Molecular Formula

C29H20ClN7O11S3.3Na

Cite this Page

2-Anthracenesulfonic acid, 1-amino-4-[[3-[[4-chloro-6-[(3-sulfophenyl)amino]-1,3,5-triazin-2-yl]amino]-4-sulfophenyl]amino]-9,10-dihydro-9,10-dioxo-, sodium salt (1:3).   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?ref=23422-12-0 (retrieved 2024-05-01) (CAS RN: 23422-12-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C29H20ClN7O11S3.3Na/c30-27-35-28(33-13-4-3-5-15(10-13)49(40,41)42)37-29(36-27)34-18-11-14(8-9-20(18)50(43,44)45)32-19-12-21(51(46,47)48)24(31)23-22(19)25(38)16-6-1-2-7-17(16)26(23)39;;;/h1-12,32H,31H2,(H,40,41,42)(H,43,44,45)(H,46,47,48)(H2,33,34,35,36,37);;;

InChIKey

InChIKey=LQPFKSTUCBBCMS-UHFFFAOYSA-N

SMILES

N(C1=C2C(C(=O)C=3C(C2=O)=CC=CC3)=C(N)C(S(=O)(=O)O)=C1)C4=CC(NC=5N=C(NC6=CC(S(=O)(=O)O)=CC=C6)N=C(Cl)N5)=C(S(=O)(=O)O)C=C4.[Na]

Canonical SMILES

[Na].O=C1C=2C=CC=CC2C(=O)C3=C(C=C(C(N)=C13)S(=O)(=O)O)NC4=CC=C(C(=C4)NC=5N=C(Cl)N=C(N5)NC6=CC=CC(=C6)S(=O)(=O)O)S(=O)(=O)O

Other Names for this Substance

  • 2-Anthracenesulfonic acid, 1-amino-4-[[3-[[4-chloro-6-[(3-sulfophenyl)amino]-1,3,5-triazin-2-yl]amino]-4-sulfophenyl]amino]-9,10-dihydro-9,10-dioxo-, sodium salt (1:3)
  • 2-Anthracenesulfonic acid, 1-amino-4-[3-[[4-chloro-6-(m-sulfoanilino)-s-triazin-2-yl]amino]-4-sulfoanilino]-9,10-dihydro-9,10-dioxo-, trisodium salt
  • 2-Anthracenesulfonic acid, 1-amino-4-[[3-[[4-chloro-6-[(3-sulfophenyl)amino]-1,3,5-triazin-2-yl]amino]-4-sulfophenyl]amino]-9,10-dihydro-9,10-dioxo-, trisodium salt
  • Helaktyn Blue DR
  • Procion Brilliant Blue HGRS

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