2,7-Naphthalenedisulfonic acid, 4-hydroxy-5-[[4-(methylamino)-6-[[3-[(2,5,6-trichloro-4-pyrimidinyl)amino]phenyl]amino]-1,3,5-triazin-2-yl]amino]-3-[2-(2-sulfophenyl)diazenyl]-, sodium salt (1:3)
CAS Registry Number®
72139-15-2
CAS Name
2,7-Naphthalenedisulfonic acid, 4-hydroxy-5-[[4-(methylamino)-6-[[3-[(2,5,6-trichloro-4-pyrimidinyl)amino]phenyl]amino]-1,3,5-triazin-2-yl]amino]-3-[2-(2-sulfophenyl)diazenyl]-, sodium salt (1:3)Molecular Formula
C30H22Cl3N11O10S3.3NaCite this Page
2,7-Naphthalenedisulfonic acid, 4-hydroxy-5-[[4-(methylamino)-6-[[3-[(2,5,6-trichloro-4-pyrimidinyl)amino]phenyl]amino]-1,3,5-triazin-2-yl]amino]-3-[2-(2-sulfophenyl)diazenyl]-, sodium salt (1:3). CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/detail?cas_rn=72139-15-2 (retrieved ) (CAS RN: 72139-15-2). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Other Names and Identifiers
InChI
InChI=1S/C30H22Cl3N11O10S3.3Na/c1-34-28-40-29(36-15-6-4-5-14(11-15)35-26-22(31)25(32)38-27(33)39-26)42-30(41-28)37-18-12-16(55(46,47)48)9-13-10-20(57(52,53)54)23(24(45)21(13)18)44-43-17-7-2-3-8-19(17)56(49,50)51;;;/h2-12,45H,1H3,(H,35,38,39)(H,46,47,48)(H,49,50,51)(H,52,53,54)(H3,34,36,37,40,41,42);;;
InChIKey
InChIKey=ZHQVLFUWDLSMLM-UHFFFAOYSA-N
SMILES
N(C=1C2=C(C=C(S(=O)(=O)O)C(N=NC3=C(S(=O)(=O)O)C=CC=C3)=C2O)C=C(S(=O)(=O)O)C1)C=4N=C(NC5=CC(NC=6C(Cl)=C(Cl)N=C(Cl)N6)=CC=C5)N=C(NC)N4.[Na]
Canonical SMILES
[Na].O=S(=O)(O)C1=CC=2C=C(C(N=NC=3C=CC=CC3S(=O)(=O)O)=C(O)C2C(=C1)NC4=NC(=NC(=N4)NC)NC5=CC=CC(=C5)NC=6N=C(Cl)N=C(Cl)C6Cl)S(=O)(=O)O
Other Names for this Substance
- 2,7-Naphthalenedisulfonic acid, 4-hydroxy-5-[[4-(methylamino)-6-[[3-[(2,5,6-trichloro-4-pyrimidinyl)amino]phenyl]amino]-1,3,5-triazin-2-yl]amino]-3-[2-(2-sulfophenyl)diazenyl]-, sodium salt (1:3)
- 2,7-Naphthalenedisulfonic acid, 4-hydroxy-5-[[4-(methylamino)-6-[[3-[(2,5,6-trichloro-4-pyrimidinyl)amino]phenyl]amino]-1,3,5-triazin-2-yl]amino]-3-[(2-sulfophenyl)azo]-, trisodium salt
