1,3,5-Naphthalenetrisulfonic acid, 7-[2-[4-[[4-[[5-[(4-amino-9,10-dihydro-9,10-dioxo-3-sulfo-1-anthracenyl)amino]-2-sulfophenyl]amino]-6-chloro-1,3,5-triazin-2-yl]amino]phenyl]diazenyl]-, sodium salt (1:5)

CAS Registry Number®

94159-05-4

CAS Name

1,3,5-Naphthalenetrisulfonic acid, 7-[2-[4-[[4-[[5-[(4-amino-9,10-dihydro-9,10-dioxo-3-sulfo-1-anthracenyl)amino]-2-sulfophenyl]amino]-6-chloro-1,3,5-triazin-2-yl]amino]phenyl]diazenyl]-, sodium salt (1:5)

Molecular Formula

C39H26ClN9O17S5.5Na

Cite this Page

1,3,5-Naphthalenetrisulfonic acid, 7-[2-[4-[[4-[[5-[(4-amino-9,10-dihydro-9,10-dioxo-3-sulfo-1-anthracenyl)amino]-2-sulfophenyl]amino]-6-chloro-1,3,5-triazin-2-yl]amino]phenyl]diazenyl]-, sodium salt (1:5).   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=94159-05-4 (retrieved 2024-11-22) (CAS RN: 94159-05-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C39H26ClN9O17S5.5Na/c40-37-45-38(43-17-5-7-18(8-6-17)48-49-20-11-24-25(29(13-20)69(58,59)60)14-21(67(52,53)54)15-30(24)70(61,62)63)47-39(46-37)44-26-12-19(9-10-28(26)68(55,56)57)42-27-16-31(71(64,65)66)34(41)33-32(27)35(50)22-3-1-2-4-23(22)36(33)51;;;;;/h1-16,42H,41H2,(H,52,53,54)(H,55,56,57)(H,58,59,60)(H,61,62,63)(H,64,65,66)(H2,43,44,45,46,47);;;;;

InChIKey

InChIKey=FWDUMWOIJPHDOL-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=C(N=NC7=CC8=C(C(S(=O)(=O)O)=C7)C=C(S(=O)(=O)O)C=C8S(=O)(=O)O)C=C6)N=C(Cl)N5)=C(S(=O)(=O)O)C=C4.[Na]

Canonical SMILES

[Na].O=C1C=2C=CC=CC2C(=O)C3=C(N)C(=CC(NC4=CC=C(C(=C4)NC=5N=C(Cl)N=C(N5)NC6=CC=C(N=NC=7C=C8C(C=C(C=C8S(=O)(=O)O)S(=O)(=O)O)=C(C7)S(=O)(=O)O)C=C6)S(=O)(=O)O)=C13)S(=O)(=O)O

Other Names for this Substance

  • 1,3,5-Naphthalenetrisulfonic acid, 7-[2-[4-[[4-[[5-[(4-amino-9,10-dihydro-9,10-dioxo-3-sulfo-1-anthracenyl)amino]-2-sulfophenyl]amino]-6-chloro-1,3,5-triazin-2-yl]amino]phenyl]diazenyl]-, sodium salt (1:5)
  • 1,3,5-Naphthalenetrisulfonic acid, 7-[[4-[[4-[[5-[(4-amino-9,10-dihydro-9,10-dioxo-3-sulfo-1-anthracenyl)amino]-2-sulfophenyl]amino]-6-chloro-1,3,5-triazin-2-yl]amino]phenyl]azo]-, pentasodium salt

CAS INSIGHTSTM
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