1-Amino-4-[[3-[[(3,6-dichloro-4-pyridazinyl)carbonyl]amino]-2,4,6-trimethyl-5-sulfophenyl]amino]-9,10-dihydro-9,10-dioxo-2-anthracenesulfonic acid

CAS Registry Number®

67846-54-2

CAS Name

1-Amino-4-[[3-[[(3,6-dichloro-4-pyridazinyl)carbonyl]amino]-2,4,6-trimethyl-5-sulfophenyl]amino]-9,10-dihydro-9,10-dioxo-2-anthracenesulfonic acid

Molecular Formula

C28H21Cl2N5O9S2

Molecular Mass

706.53

Cite this Page

1-Amino-4-[[3-[[(3,6-dichloro-4-pyridazinyl)carbonyl]amino]-2,4,6-trimethyl-5-sulfophenyl]amino]-9,10-dihydro-9,10-dioxo-2-anthracenesulfonic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=67846-54-2 (retrieved 2024-10-03) (CAS RN: 67846-54-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C28H21Cl2N5O9S2/c1-10-22(11(2)26(46(42,43)44)12(3)23(10)33-28(38)15-8-18(29)34-35-27(15)30)32-16-9-17(45(39,40)41)21(31)20-19(16)24(36)13-6-4-5-7-14(13)25(20)37/h4-9,32H,31H2,1-3H3,(H,33,38)(H,39,40,41)(H,42,43,44)

InChIKey

InChIKey=WPNCZPHIKSFVSG-UHFFFAOYSA-N

SMILES

N(C1=C2C(C(=O)C=3C(C2=O)=CC=CC3)=C(N)C(S(=O)(=O)O)=C1)C4=C(C)C(NC(=O)C5=C(Cl)N=NC(Cl)=C5)=C(C)C(S(=O)(=O)O)=C4C

Canonical SMILES

O=C(NC=1C(=C(NC=2C=C(C(N)=C3C(=O)C=4C=CC=CC4C(=O)C23)S(=O)(=O)O)C(=C(C1C)S(=O)(=O)O)C)C)C5=CC(Cl)=NN=C5Cl

Other Names for this Substance

  • 2-Anthracenesulfonic acid, 1-amino-4-[[3-[[(3,6-dichloro-4-pyridazinyl)carbonyl]amino]-2,4,6-trimethyl-5-sulfophenyl]amino]-9,10-dihydro-9,10-dioxo-
  • 1-Amino-4-[[3-[[(3,6-dichloro-4-pyridazinyl)carbonyl]amino]-2,4,6-trimethyl-5-sulfophenyl]amino]-9,10-dihydro-9,10-dioxo-2-anthracenesulfonic acid

CAS INSIGHTSTM
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