1H-Pyrazole-3-carboxylic acid, 4-[[5-[[4-[(2-carboxy-4-sulfophenyl)amino]-6-chloro-1,3,5-triazin-2-yl]amino]-2-sulfophenyl]azo]-4,5-dihydro-5-oxo-1-(4-sulfophenyl)-, trisodium salt

CAS Name

1H-Pyrazole-3-carboxylic acid, 4-[2-[5-[[4-[(2-carboxy-4-sulfophenyl)amino]-6-chloro-1,3,5-triazin-2-yl]amino]-2-sulfophenyl]diazenyl]-4,5-dihydro-5-oxo-1-(4-sulfophenyl)-, sodium salt (1:3)

Molecular Formula

C₂₆H₁₈ClN₉O₁₄S₃.3Na

Molecular Mass

881.09

Other Names and Identifiers

InChI

InChI=1S/C26H18ClN9O14S3.3Na/c27-24-30-25(32-26(31-24)29-16-7-6-14(52(45,46)47)10-15(16)22(38)39)28-11-1-8-18(53(48,49)50)17(9-11)33-34-19-20(23(40)41)35-36(21(19)37)12-2-4-13(5-3-12)51(42,43)44;;;/h1-10,19H,(H,38,39)(H,40,41)(H,42,43,44)(H,45,46,47)(H,48,49,50)(H2,28,29,30,31,32);;;

InChIKey

InChIKey=JOPXFEQZBTUVEQ-UHFFFAOYSA-N

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(=O)O)C5=CC=C(C=C5)S(=O)(=O)O)=C3)S(=O)(=O)O)S(=O)(=O)O

Other Names for this Substance