1H-Pyrazole-3-carboxylic acid, 4,4′-[1,2-ethenediylbis[(3-sulfo-4,1-phenylene)imino(6-chloro-1,3,5-triazine-4,2-diyl)imino(6-sulfo-3,1-phenylene)azo]]bis[4,5-dihydro-5-oxo-1-(4-sulfophenyl)-, hexasodium salt

CAS Name

1H-Pyrazole-3-carboxylic acid, 4,4′-[1,2-ethenediylbis[(3-sulfo-4,1-phenylene)imino(6-chloro-1,3,5-triazine-4,2-diyl)imino(6-sulfo-3,1-phenylene)-2,1-diazenediyl]]bis[4,5-dihydro-5-oxo-1-(4-sulfophenyl)-, sodium salt (1:6)

Molecular Formula

C₅₂H₃₆Cl₂N₁₈O₂₄S₆.6Na

Molecular Mass

1698.19

Other Names and Identifiers

InChI

InChI=1S/C52H36Cl2N18O24S6.6Na/c53-47-59-49(55-25-7-17-35(99(85,86)87)33(19-25)65-67-39-41(45(75)76)69-71(43(39)73)29-9-13-31(14-10-29)97(79,80)81)63-51(61-47)57-27-5-3-23(37(21-27)101(91,92)93)1-2-24-4-6-28(22-38(24)102(94,95)96)58-52-62-48(54)60-50(64-52)56-26-8-18-36(100(88,89)90)34(20-26)66-68-40-42(46(77)78)70-72(44(40)74)30-11-15-32(16-12-30)98(82,83)84;;;;;;/h1-22,39-40H,(H,75,76)(H,77,78)(H,79,80,81)(H,82,83,84)(H,85,86,87)(H,88,89,90)(H,91,92,93)(H,94,95,96)(H2,55,57,59,61,63)(H2,56,58,60,62,64);;;;;;

InChIKey

InChIKey=RXNPEIVLMARNPN-UHFFFAOYSA-N

Canonical SMILES

[Na].O=C(O)C1=NN(C(=O)C1N=NC2=CC(=CC=C2S(=O)(=O)O)NC3=NC(Cl)=NC(=N3)NC4=CC=C(C=CC5=CC=C(C=C5S(=O)(=O)O)NC=6N=C(Cl)N=C(N6)NC7=CC=C(C(N=NC8C(=O)N(N=C8C(=O)O)C9=CC=C(C=C9)S(=O)(=O)O)=C7)S(=O)(=O)O)C(=C4)S(=O)(=O)O)C%10=CC=C(C=C%10)S(=O)(=O)O

Other Names for this Substance