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Reference substances

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General information

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Reference substance information

IUPAC name:
5-((E)-(2,4-dihydroxy-3-((E)-(4-methoxyphenyl)diazenyl)-5-((E)-(4-((4-nitro-2-sulfophenyl)amino)phenyl)diazenyl)phenyl)diazenyl)-4-hydroxy-1-(4-((4-nitro-2-sulfophenyl)amino)phenyl)naphthalene-2,7-disulfonic acid

Molecular and structural information

Molecular formula:
C47H34N10O20S4
Molecular weight:
1 187.087
SMILES notation:
O=N(=O)c8ccc(Nc1ccc(cc1)c7c(cc(O)c6c7cc(cc6/N=N/c5cc(/N=N/c3ccc(Nc2ccc(cc2S(O)(=O)=O)N(=O)=O)cc3)c(O)c(/N=N/c4ccc(OC)cc4)c5O)S(=O)(=O)O)S(=O)(=O)O)c(c8)S(=O)(=O)O
InChl:
1S/C47H34N10O20S4/c1-77-31-14-10-28(11-15-31)51-55-45-46(59)37(53-50-27-8-6-26(7-9-27)49-35-17-13-30(57(63)64)19-41(35)80(71,72)73)22-38(47(45)60)54-52-36-21-32(78(65,66)67)20-33-43(42(81(74,75)76)23-39(58)44(33)36)24-2-4-25(5-3-24)48-34-16-12-29(56(61)62)18-40(34)79(68,69)70/h2-23,48-49,58-60H,1H3,(H,65,66,67)(H,68,69,70)(H,71,72,73)(H,74,75,76)/b53-50+,54-52+,55-51+
Structural formula:
Chemical structure