CAS Registry Number®
91261-29-9
CAS Name
1,5-Naphthalenedisulfonic acid, 3,3′-[(2,2′-disulfo[1,1′-biphenyl]-4,4′-diyl)bis[imino(6-chloro-1,3,5-triazine-4,2-diyl)imino(1-hydroxy-3-sulfo-6,2-naphthalenediyl)-2,1-diazenediyl]]bis-, sodium salt (1:8)
Molecular Formula
C58H38Cl2N14O26S8.8Na
Other Names and Identifiers
InChI
InChI=1S/C58H38Cl2N14O26S8.8Na/c59-53-65-55(61-27-7-11-33-25(15-27)17-47(107(95,96)97)49(51(33)75)73-71-31-19-39-35(45(23-31)105(89,90)91)3-1-5-41(39)101(77,78)79)69-57(67-53)63-29-9-13-37(43(21-29)103(83,84)85)38-14-10-30(22-44(38)104(86,87)88)64-58-68-54(60)66-56(70-58)62-28-8-12-34-26(16-28)18-48(108(98,99)100)50(52(34)76)74-72-32-20-40-36(46(24-32)106(92,93)94)4-2-6-42(40)102(80,81)82;;;;;;;;/h1-24,75-76H,(H,77,78,79)(H,80,81,82)(H,83,84,85)(H,86,87,88)(H,89,90,91)(H,92,93,94)(H,95,96,97)(H,98,99,100)(H2,61,63,65,67,69)(H2,62,64,66,68,70);;;;;;;;
InChIKey
InChIKey=PXJKIUWFMSBIGJ-UHFFFAOYSA-N
SMILES
S(=O)(=O)(O)C=1C2=C(C(S(=O)(=O)O)=CC(N=NC=3C(S(=O)(=O)O)=CC4=C(C3O)C=CC(NC=5N=C(NC6=CC(S(=O)(=O)O)=C(C=C6)C7=C(S(=O)(=O)O)C=C(NC=8N=C(NC9=CC%10=C(C=C9)C(O)=C(N=NC%11=CC%12=C(C(S(=O)(=O)O)=C%11)C=CC=C%12S(=O)(=O)O)C(S(=O)(=O)O)=C%10)N=C(Cl)N8)C=C7)N=C(Cl)N5)=C4)=C2)C=CC1.[Na]
Canonical SMILES
[Na].O=S(=O)(O)C1=CC=CC=2C1=CC(N=NC=3C(O)=C4C=CC(=CC4=CC3S(=O)(=O)O)NC5=NC(Cl)=NC(=N5)NC6=CC=C(C7=CC=C(C=C7S(=O)(=O)O)NC=8N=C(Cl)N=C(N8)NC=9C=CC%10=C(O)C(N=NC=%11C=C%12C(C=CC=C%12S(=O)(=O)O)=C(C%11)S(=O)(=O)O)=C(C=C%10C9)S(=O)(=O)O)C(=C6)S(=O)(=O)O)=CC2S(=O)(=O)O
Other Names for this Substance
- 1,5-Naphthalenedisulfonic acid, 3,3′-[(2,2′-disulfo[1,1′-biphenyl]-4,4′-diyl)bis[imino(6-chloro-1,3,5-triazine-4,2-diyl)imino(1-hydroxy-3-sulfo-6,2-naphthalenediyl)-2,1-diazenediyl]]bis-, sodium salt (1:8)
- 1,5-Naphthalenedisulfonic acid, 3,3′-[(2,2′-disulfo[1,1′-biphenyl]-4,4′-diyl)bis[imino(6-chloro-1,3,5-triazine-4,2-diyl)imino(1-hydroxy-3-sulfo-6,2-naphthalenediyl)azo]]bis-, octasodium salt
- C.I. Reactive Orange 84
- Procion Orange H-ER
- Reactive Orange 84
- C.I. 292810
- Procion Brilliant Orange H-ER
- Reactofix Orange HERI
- Reactive Orange KE-R
- Evercion Orange H-ER
- Reactive Orange H-ER
