Cuprate(6-), (mu-((2,2'-((1,4-dioxo-2-butene-1,4-diyl)bis(imino(2-sulfo-4,1-phenylene)-2,1-ethenediyl(3-sulfo-4,1-phenylene)(4,5-dihydro-3-methyl-5-oxo-1h-pyrazole-4,1-diyl)azo))bis(5-sulfobenzoato))(10-)))di-, hexasodium

Structural Information

Molecular Formula

C₅₄H₄₂N₁₀O₂₆S₆

SMILES

CC1=NN(C(=O)C1N=NC2=C(C=C(C=C2)S(=O)(=O)O)C(=O)O)C3=C(C=C(C=C3)C=CC4=CC(=C(C=C4)NC(=O)/C=C/C(=O)NC5=C(C=C(C=C5)/C=C/C6=CC(=C(C=C6)N7C(=O)C(C(=N7)C)N=NC8=C(C=C(C=C8)S(=O)(=O)O)C(=O)O)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O

InChI

InChI=1S/C54H42N10O26S6/c1-27-49(59-57-37-15-11-33(91(73,74)75)25-35(37)53(69)70)51(67)63(61-27)41-17-9-31(23-45(41)95(85,86)87)5-3-29-7-13-39(43(21-29)93(79,80)81)55-47(65)19-20-48(66)56-40-14-8-30(22-44(40)94(82,83)84)4-6-32-10-18-42(46(24-32)96(88,89)90)64-52(68)50(28(2)62-64)60-58-38-16-12-34(92(76,77)78)26-36(38)54(71)72/h3-26,49-50H,1-2H3,(H,55,65)(H,56,66)(H,69,70)(H,71,72)(H,73,74,75)(H,76,77,78)(H,79,80,81)(H,82,83,84)(H,85,86,87)(H,88,89,90)/b5-3+,6-4?,20-19+,59-57?,60-58?

InChIKey

WIFOQPNFLNESFX-RMKGXBTKSA-N

Compound name

2-[[1-[4-[2-[4-[[(E)-4-[4-[(E)-2-[4-[4-[(2-carboxy-4-sulfophenyl)diazenyl]-3-methyl-5-oxo-4H-pyrazol-1-yl]-3-sulfophenyl]ethenyl]-2-sulfoanilino]-4-oxobut-2-enoyl]amino]-3-sulfophenyl]ethenyl]-2-sulfophenyl]-3-methyl-5-oxo-4H-pyrazol-4-yl]diazenyl]-5-sulfobenzoic acid

Related CIDs

• CID 133065545