Benzoic acid, 2-[2-[[2-[3-[[4-chloro-6-[[4-[[4-chloro-6-[(3-sulfophenyl)amino]-1,3,5-triazin-2-yl]amino]-2,5-disulfophenyl]amino]-1,3,5-triazin-2-yl]amino]-2-hydroxy-5-sulfophenyl]diazenyl]phenylmethyl]diazenyl]-5-sulfo-, sodium salt (1:5)

CAS Registry Number®

71872-76-9

CAS Name

Benzoic acid, 2-[2-[[2-[3-[[4-chloro-6-[[4-[[4-chloro-6-[(3-sulfophenyl)amino]-1,3,5-triazin-2-yl]amino]-2,5-disulfophenyl]amino]-1,3,5-triazin-2-yl]amino]-2-hydroxy-5-sulfophenyl]diazenyl]phenylmethyl]diazenyl]-5-sulfo-, sodium salt (1:5)

Molecular Formula

C38H28Cl2N14O18S5.5Na

Cite this Page

Benzoic acid, 2-[2-[[2-[3-[[4-chloro-6-[[4-[[4-chloro-6-[(3-sulfophenyl)amino]-1,3,5-triazin-2-yl]amino]-2,5-disulfophenyl]amino]-1,3,5-triazin-2-yl]amino]-2-hydroxy-5-sulfophenyl]diazenyl]phenylmethyl]diazenyl]-5-sulfo-, sodium salt (1:5).   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=71872-76-9 (retrieved 2024-11-26) (CAS RN: 71872-76-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C38H28Cl2N14O18S5.5Na/c39-33-45-35(41-18-7-4-8-19(11-18)73(58,59)60)49-36(46-33)42-24-15-29(77(70,71)72)25(16-28(24)76(67,68)69)43-37-47-34(40)48-38(50-37)44-26-13-21(75(64,65)66)14-27(30(26)55)52-54-31(17-5-2-1-3-6-17)53-51-23-10-9-20(74(61,62)63)12-22(23)32(56)57;;;;;/h1-16,31,55H,(H,56,57)(H,58,59,60)(H,61,62,63)(H,64,65,66)(H,67,68,69)(H,70,71,72)(H2,41,42,45,46,49)(H2,43,44,47,48,50);;;;;

InChIKey

InChIKey=KNIPQMLZEYFYGG-UHFFFAOYSA-N

SMILES

N(C1=C(S(=O)(=O)O)C=C(NC=2N=C(NC3=CC(S(=O)(=O)O)=CC=C3)N=C(Cl)N2)C(S(=O)(=O)O)=C1)C=4N=C(NC5=C(O)C(N=NC(N=NC6=C(C(O)=O)C=C(S(=O)(=O)O)C=C6)C7=CC=CC=C7)=CC(S(=O)(=O)O)=C5)N=C(Cl)N4.[Na]

Canonical SMILES

[Na].O=C(O)C1=CC(=CC=C1N=NC(N=NC=2C=C(C=C(NC3=NC(Cl)=NC(=N3)NC4=CC(=C(C=C4S(=O)(=O)O)NC=5N=C(Cl)N=C(N5)NC6=CC=CC(=C6)S(=O)(=O)O)S(=O)(=O)O)C2O)S(=O)(=O)O)C=7C=CC=CC7)S(=O)(=O)O

Other Names for this Substance

  • Benzoic acid, 2-[2-[[2-[3-[[4-chloro-6-[[4-[[4-chloro-6-[(3-sulfophenyl)amino]-1,3,5-triazin-2-yl]amino]-2,5-disulfophenyl]amino]-1,3,5-triazin-2-yl]amino]-2-hydroxy-5-sulfophenyl]diazenyl]phenylmethyl]diazenyl]-5-sulfo-, sodium salt (1:5)
  • Benzoic acid, 2-[[[[3-[[4-chloro-6-[[4-[[4-chloro-6-[(3-sulfophenyl)amino]-1,3,5-triazin-2-yl]amino]-2,5-disulfophenyl]amino]-1,3,5-triazin-2-yl]amino]-2-hydroxy-5-sulfophenyl]azo]phenylmethyl]azo]-5-sulfo-, pentasodium salt
  • C.I. Reactive Blue 160
  • Procion Blue H-ERD
  • Reactive Blue 160

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CAS INSIGHTSTM
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