Cuprate(5-), (mu-(2-((1-(4-(2-(4-((4-((4-(2-(4-(4-((2-carboxyphenyl)azo)-4,5-dihydro-3-methyl-5-oxo-1h-pyrazol-1-yl)-2-sulfophenyl)ethenyl)-3-sulfophenyl)amino)-6-(4-morpholinyl)-1,3,5-triazin-2-yl)amino)-2-sulfophenyl)ethenyl)-3-sulfophenyl)-4,5-dihydro-3-methyl-5-oxo-1h-pyrazol-4-yl)azo)-5-sulfobenzoato(9-)))di-, pentasodium

Structural Information

Molecular Formula

C₅₇H₄₈N₁₄O₂₂S₅

SMILES

CC1=NN(C(=O)C1N=NC2=C(C=C(C=C2)S(=O)(=O)O)C(=O)O)C3=CC(=C(C=C3)S(=O)(=O)O)/C=C/C4=C(C=C(C=C4)NC5=NC(=NC(=N5)N6CCOCC6)NC7=C(C=C(C=C7)/C=C/C8=C(C=C(C=C8)N9C(=O)C(C(=N9)C)N=NC1=CC=CC=C1C(=O)O)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O

InChI

InChI=1S/C57H48N14O22S5/c1-30-49(66-64-43-19-17-39(94(78,79)80)29-41(43)54(76)77)51(72)70(67-30)37-16-20-45(95(81,82)83)35(26-37)11-10-34-12-14-36(27-46(34)96(84,85)86)58-55-60-56(62-57(61-55)69-21-23-93-24-22-69)59-44-18-8-32(25-48(44)98(90,91)92)7-9-33-13-15-38(28-47(33)97(87,88)89)71-52(73)50(31(2)68-71)65-63-42-6-4-3-5-40(42)53(74)75/h3-20,25-29,49-50H,21-24H2,1-2H3,(H,74,75)(H,76,77)(H,78,79,80)(H,81,82,83)(H,84,85,86)(H,87,88,89)(H,90,91,92)(H2,58,59,60,61,62)/b9-7+,11-10+,65-63?,66-64?

InChIKey

GXBXEJBYUDZDBD-FZJZRCRMSA-N

Compound name

2-[[1-[3-[(E)-2-[4-[[4-[4-[(E)-2-[4-[4-[(2-carboxyphenyl)diazenyl]-3-methyl-5-oxo-4H-pyrazol-1-yl]-2-sulfophenyl]ethenyl]-2-sulfoanilino]-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]-2-sulfophenyl]ethenyl]-4-sulfophenyl]-3-methyl-5-oxo-4H-pyrazol-4-yl]diazenyl]-5-sulfobenzoic acid

Related CIDs

• CID 16131280