[1,1′-Biphenyl]-3-sulfonic acid, 4-[[3-[2-[1-(2-chloro-5-sulfophenyl)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-4-yl]diazenyl]benzoyl]amino]-4′-[(2,5,6-trichloro-4-pyrimidinyl)amino]-, sodium salt (1:2)
CAS Registry Number®
74186-18-8
CAS Name
[1,1′-Biphenyl]-3-sulfonic acid, 4-[[3-[2-[1-(2-chloro-5-sulfophenyl)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-4-yl]diazenyl]benzoyl]amino]-4′-[(2,5,6-trichloro-4-pyrimidinyl)amino]-, sodium salt (1:2)Molecular Formula
C33H22Cl4N8O8S2.2NaCite this Page
[1,1′-Biphenyl]-3-sulfonic acid, 4-[[3-[2-[1-(2-chloro-5-sulfophenyl)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-4-yl]diazenyl]benzoyl]amino]-4′-[(2,5,6-trichloro-4-pyrimidinyl)amino]-, sodium salt (1:2). CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/detail?cas_rn=74186-18-8 (retrieved ) (CAS RN: 74186-18-8). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Other Names and Identifiers
InChI
InChI=1S/C33H22Cl4N8O8S2.2Na/c1-16-28(32(47)45(44-16)25-15-22(54(48,49)50)10-11-23(25)34)43-42-21-4-2-3-19(13-21)31(46)39-24-12-7-18(14-26(24)55(51,52)53)17-5-8-20(9-6-17)38-30-27(35)29(36)40-33(37)41-30;;/h2-15,28H,1H3,(H,39,46)(H,38,40,41)(H,48,49,50)(H,51,52,53);;
InChIKey
InChIKey=XARUFFCGNYOIRU-UHFFFAOYSA-N
SMILES
O=C1N(N=C(C)C1N=NC2=CC(C(NC3=C(S(=O)(=O)O)C=C(C=C3)C4=CC=C(NC=5C(Cl)=C(Cl)N=C(Cl)N5)C=C4)=O)=CC=C2)C6=CC(S(=O)(=O)O)=CC=C6Cl.[Na]
Canonical SMILES
[Na].O=C(NC1=CC=C(C=C1S(=O)(=O)O)C=2C=CC(=CC2)NC=3N=C(Cl)N=C(Cl)C3Cl)C=4C=CC=C(N=NC5C(=O)N(N=C5C)C6=CC(=CC=C6Cl)S(=O)(=O)O)C4
Other Names for this Substance
- [1,1′-Biphenyl]-3-sulfonic acid, 4-[[3-[2-[1-(2-chloro-5-sulfophenyl)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-4-yl]diazenyl]benzoyl]amino]-4′-[(2,5,6-trichloro-4-pyrimidinyl)amino]-, sodium salt (1:2)
- [1,1′-Biphenyl]-3-sulfonic acid, 4-[[3-[[1-(2-chloro-5-sulfophenyl)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-4-yl]azo]benzoyl]amino]-4′-[(2,5,6-trichloro-4-pyrimidinyl)amino]-, disodium salt
