4-[[2-(3-Aminophenoxy)acetyl]amino]-5-hydroxy-1,7-naphthalenedisulfonic acid

CAS Registry Number®

84963-05-3

CAS Name

4-[[2-(3-Aminophenoxy)acetyl]amino]-5-hydroxy-1,7-naphthalenedisulfonic acid

Molecular Formula

C18H16N2O9S2

Molecular Mass

468.46

Cite this Page

4-[[2-(3-Aminophenoxy)acetyl]amino]-5-hydroxy-1,7-naphthalenedisulfonic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=84963-05-3 (retrieved 2024-10-04) (CAS RN: 84963-05-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C18H16N2O9S2/c19-10-2-1-3-11(6-10)29-9-17(22)20-14-4-5-16(31(26,27)28)13-7-12(30(23,24)25)8-15(21)18(13)14/h1-8,21H,9,19H2,(H,20,22)(H,23,24,25)(H,26,27,28)

InChIKey

InChIKey=RIJWTBZRICUKGS-UHFFFAOYSA-N

SMILES

N(C(COC1=CC(N)=CC=C1)=O)C=2C3=C(C(S(=O)(=O)O)=CC2)C=C(S(=O)(=O)O)C=C3O

Canonical SMILES

O=C(NC1=CC=C(C=2C=C(C=C(O)C12)S(=O)(=O)O)S(=O)(=O)O)COC3=CC=CC(N)=C3

Other Names for this Substance

  • 1,7-Naphthalenedisulfonic acid, 4-[[2-(3-aminophenoxy)acetyl]amino]-5-hydroxy-
  • 1,7-Naphthalenedisulfonic acid, 4-[[(3-aminophenoxy)acetyl]amino]-5-hydroxy-
  • 4-[[2-(3-Aminophenoxy)acetyl]amino]-5-hydroxy-1,7-naphthalenedisulfonic acid

CAS INSIGHTSTM
© Nobel Prize Outreach. Photo: Hugh Fox