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Reference substances

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General information

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Reference substance information

IUPAC name:
Reaction product of diazotized 1-Naphtylamino-5-sulfonic acid and m-phenylenediamine

Molecular and structural information

Molecular formula:
C30H19N6Na3O12S3
C16H14N4O3S
Molecular weight:
> 342.37 - <= 751.7
SMILES notation:
[Na+].[Na+].[Na+].O=S([O-])(=O)c5cc(ccc5/C=C/c4ccc(/N=[N+](\[O-])c3ccc(/N=N/c2cccc1c2cccc1S([O-])(=O)=O)c(N)c3)cc4S([O-])(=O)=O)N(=O)=O

Nc3ccc(/N=N/c2cccc1c2cccc1S(=O)(=O)O)c(N)c3
InChl:
InChI=1S/C30H22N6O12S3.3Na/c31-25-16-21(13-14-27(25)33-32-26-5-1-4-24-23(26)3-2-6-28(24)49(40,41)42)35(37)34-20-11-9-18(29(15-20)50(43,44)45)7-8-19-10-12-22(36(38)39)17-30(19)51(46,47)48;;;/h1-17H,31H2,(H,40,41,42)(H,43,44,45)(H,46,47,48);;;/q;3*+1/p-3/b8-7+,33-32+,35-34-;;;

InChI=1S/C16H14N4O3S/c17-10-7-8-15(13(18)9-10)20-19-14-5-1-4-12-11(14)3-2-6-16(12)24(21,22)23/h1-9H,17-18H2,(H,21,22,23)/b20-19+
Structural formula:
Chemical structure