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Reference substances

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IUPAC name:
tetrasodium;3-[[4-[[4-[(2E)-2-(6-amino-1-oxo-3-sulfonatonaphthalen-2-ylidene)hydrazinyl]-6-sulfonatonaphthalen-1-yl]diazenyl]naphthalen-1-yl]diazenyl]naphthalene-1,5-disulfonate

Inventory

EC number:
224-531-4
EC name:
Tetrasodium 3-[[4-[[4-[(6-amino-1-hydroxy-3-sulphonato-2-naphthyl)azo]-6-sulphonato-1-naphthyl]azo]-1-naphthyl]azo]naphthalene-1,5-disulphonate
CAS number:
4399-55-7
CAS number:
4399-55-7

Synonyms

Molecular and structural information

Molecular formula:
C40H27N7O13S4.4Na
Molecular weight:
1 029.88
SMILES notation:
c12c(c(ccc1\N=N\c1c(cc3cc(N)ccc3c1O)S(=O)(=O)[O-])\N=N\c1c3c(c(\N=N\c4cc5c(cccc5S(=O)(=O)[O-])c(c4)S(=O)(=O)[O-])cc1)cccc3)ccc(c2)S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+]
InChl:
1S/C40H27N7O13S4.4Na/c41-22-8-10-25-21(16-22)17-38(64(58,59)60)39(40(25)48)47-46-35-15-14-34(28-11-9-24(20-30(28)35)61(49,50)51)45-44-33-13-12-32(26-4-1-2-5-27(26)33)43-42-23-18-31-29(37(19-23)63(55,56)57)6-3-7-36(31)62(52,53)54;;;;/h1-20,48H,41H2,(H,49,50,51)(H,52,53,54)(H,55,56,57)(H,58,59,60);;;;/q;4*+1/p-4/b43-42+,45-44+,47-46+;;;;
Structural formula:
Chemical structure

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