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Reference substances

Reference substances

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General information

Inventory

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Reference substance information

IUPAC name:
sodium (E)-3-((5-(2,4-dihydroxy-3,5-bis(hydroxymethyl)benzyl)-2,4-dihydroxy-3-(hydroxymethyl)phenyl)diazenyl)benzenesulfonate

Molecular and structural information

Molecular formula:
C22H21N2NaO10S
Molecular weight:
ca. 528.464
SMILES notation:
[Na+].O=S([O-])(=O)c3cc(/N=N/c2cc(Cc1cc(CO)c(O)c(CO)c1O)c(O)c(CO)c2O)ccc3
InChl:
InChI=1S/C22H22N2O10S.Na/c25-8-13-5-11(19(28)16(9-26)21(13)30)4-12-6-18(22(31)17(10-27)20(12)29)24-23-14-2-1-3-15(7-14)35(32,33)34;/h1-3,5-7,25-31H,4,8-10H2,(H,32,33,34);/q;+1/p-1/b24-23+;
Structural formula:
Chemical structure