4-[[3-[(2-Chloroethyl)sulfonyl]benzoyl]amino]-5-hydroxy-6-[2-(2-sulfophenyl)diazenyl]-1,7-naphthalenedisulfonic acid
CAS Registry Number®
54518-41-1
CAS Name
4-[[3-[(2-Chloroethyl)sulfonyl]benzoyl]amino]-5-hydroxy-6-[2-(2-sulfophenyl)diazenyl]-1,7-naphthalenedisulfonic acidMolecular Formula
C25H20ClN3O13S4Molecular Mass
734.15Cite this Page
4-[[3-[(2-Chloroethyl)sulfonyl]benzoyl]amino]-5-hydroxy-6-[2-(2-sulfophenyl)diazenyl]-1,7-naphthalenedisulfonic acid. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/detail?cas_rn=54518-41-1 (retrieved ) (CAS RN: 54518-41-1). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Other Names and Identifiers
InChI
InChI=1S/C25H20ClN3O13S4/c26-10-11-43(32,33)15-5-3-4-14(12-15)25(31)27-18-8-9-19(44(34,35)36)16-13-21(46(40,41)42)23(24(30)22(16)18)29-28-17-6-1-2-7-20(17)45(37,38)39/h1-9,12-13,30H,10-11H2,(H,27,31)(H,34,35,36)(H,37,38,39)(H,40,41,42)
InChIKey
InChIKey=HAYRGMPWYJSHBP-UHFFFAOYSA-N
SMILES
S(=O)(=O)(O)C=1C2=C(C(NC(=O)C3=CC(S(CCCl)(=O)=O)=CC=C3)=CC1)C(O)=C(N=NC4=C(S(=O)(=O)O)C=CC=C4)C(S(=O)(=O)O)=C2
Canonical SMILES
O=C(NC1=CC=C(C=2C=C(C(N=NC=3C=CC=CC3S(=O)(=O)O)=C(O)C12)S(=O)(=O)O)S(=O)(=O)O)C4=CC=CC(=C4)S(=O)(=O)CCCl
Other Names for this Substance
- 1,7-Naphthalenedisulfonic acid, 4-[[3-[(2-chloroethyl)sulfonyl]benzoyl]amino]-5-hydroxy-6-[2-(2-sulfophenyl)diazenyl]-
- 1,7-Naphthalenedisulfonic acid, 4-[[3-[(2-chloroethyl)sulfonyl]benzoyl]amino]-5-hydroxy-6-[(2-sulfophenyl)azo]-
- 4-[[3-[(2-Chloroethyl)sulfonyl]benzoyl]amino]-5-hydroxy-6-[2-(2-sulfophenyl)diazenyl]-1,7-naphthalenedisulfonic acid
