Benzoic acid, 2-[[4-chloro-6-[[3-[2-[1-(2,5-dichloro-4-sulfophenyl)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-4-yl]diazenyl]-4-sulfophenyl]amino]-1,3,5-triazin-2-yl]amino]-5-sulfo-, sodium salt (1:3)
CAS Registry Number®
93778-50-8
CAS Name
Benzoic acid, 2-[[4-chloro-6-[[3-[2-[1-(2,5-dichloro-4-sulfophenyl)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-4-yl]diazenyl]-4-sulfophenyl]amino]-1,3,5-triazin-2-yl]amino]-5-sulfo-, sodium salt (1:3)Molecular Formula
C26H18Cl3N9O12S3.3NaCite this Page
Benzoic acid, 2-[[4-chloro-6-[[3-[2-[1-(2,5-dichloro-4-sulfophenyl)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-4-yl]diazenyl]-4-sulfophenyl]amino]-1,3,5-triazin-2-yl]amino]-5-sulfo-, sodium salt (1:3). CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/detail?cas_rn=93778-50-8 (retrieved ) (CAS RN: 93778-50-8). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Other Names and Identifiers
InChI
InChI=1S/C26H18Cl3N9O12S3.3Na/c1-10-21(22(39)38(37-10)18-8-15(28)20(9-14(18)27)53(48,49)50)36-35-17-6-11(2-5-19(17)52(45,46)47)30-25-32-24(29)33-26(34-25)31-16-4-3-12(51(42,43)44)7-13(16)23(40)41;;;/h2-9,21H,1H3,(H,40,41)(H,42,43,44)(H,45,46,47)(H,48,49,50)(H2,30,31,32,33,34);;;
InChIKey
InChIKey=HMIURANTFCTJQW-UHFFFAOYSA-N
SMILES
O=C1N(N=C(C)C1N=NC2=C(S(=O)(=O)O)C=CC(NC=3N=C(NC4=C(C(O)=O)C=C(S(=O)(=O)O)C=C4)N=C(Cl)N3)=C2)C5=C(Cl)C=C(S(=O)(=O)O)C(Cl)=C5.[Na]
Canonical SMILES
[Na].O=C(O)C1=CC(=CC=C1NC=2N=C(Cl)N=C(N2)NC3=CC=C(C(N=NC4C(=O)N(N=C4C)C5=CC(Cl)=C(C=C5Cl)S(=O)(=O)O)=C3)S(=O)(=O)O)S(=O)(=O)O
Other Names for this Substance
- Benzoic acid, 2-[[4-chloro-6-[[3-[2-[1-(2,5-dichloro-4-sulfophenyl)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-4-yl]diazenyl]-4-sulfophenyl]amino]-1,3,5-triazin-2-yl]amino]-5-sulfo-, sodium salt (1:3)
- Benzoic acid, 2-[[4-chloro-6-[[3-[[1-(2,5-dichloro-4-sulfophenyl)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-4-yl]azo]-4-sulfophenyl]amino]-1,3,5-triazin-2-yl]amino]-5-sulfo-, trisodium salt
