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Reference substances

Reference substances

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General information

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Reference substance information

IUPAC name:
2-Naphtalenesulfonic acid, 3-[[4-[(2,4-dimethyl-6-sulfophenyl)azo]-2-methoxy-5-methyl phenyl]azo]-4-hydroxy-7-phenylamino-, triethanolamine salt

Molecular and structural information

Molecular formula:
C32H29N5O8S2.2C6H15NO3
Molecular weight:
974.1
SMILES notation:
COc1cc(\N=N\c2c(C)cc(C)cc2S(=O)(=O)[O-])c(C)cc1\N=N\c3c(O)c4ccc(Nc5ccccc5)cc4cc3S(=O)(=O)[O-].OCC[NH+](CCO)CCO.OCC[NH+](CCO)CCO
InChl:
InChI=1S/C32H29N5O8S2.2C6H15NO3/c1-18-12-20(3)30(28(13-18)46(39,40)41)36-34-25-17-27(45-4)26(14-19(25)2)35-37-31-29(47(42,43)44)16-21-15-23(10-11-24(21)32(31)38)33-22-8-6-5-7-9-22;2*8-4-1-7(2-5-9)3-6-10/h5-17,33,38H,1-4H3,(H,39,40,41)(H,42,43,44);2*8-10H,1-6H2/b36-34+,37-35+;;
Structural formula:
Chemical structure