Einecs 229-400-5 structure

Einecs 229-400-5

hexasodium;3-[[4,8-disulfonato-6-(6-sulfonatobenzo[e]benzotriazol-2-yl)naphthalen-2-yl]diazenyl]-7-(6-sulfonatobenzo[e]benzotriazol-2-yl)naphthalene-1,5-disulfonate

Also Known As: EINECS 229-400-5|Hexasodium 3,3'-azobis(7-(6-sulphonato-2H-naphtho(1,2-d)triazol-2-yl)naphthalene-1,5-disulphonate)|1,5-Naphthalenedisulfonicacid, 3,3'-azobis[7-(6-sulfo-2H-naphtho[1,2-d]triazol-2-yl)-, hexasodium salt(7CI,8CI,9CI)|3,3'-Azobis[7-[6-(sodiosulfo)-2H-naphtho[1,2-d]triazol-2-yl]-1,5-naphthalenedisulfonic acid disodium] salt|Hexasodium 3,3'-azobis[7-(6-sulfonato-2H-naphtho[1,2-d]triazol-2-yl)naphthalene-1,5-disulfonate]|Hexasodium 3,3'-azobis[7-(6-sulphonato-2H-naphtho[1,2-d]triazol-2-yl)naphthalene-1,5-disulphonate]|Hexasodium 3,3'-diazenediylbis[7-(6-sulfonato-2H-naphtho[1,2-d][1,2,3]triazol-2-yl)naphthalene-1,5-disulfonate]|hexasodium 3-[[4,8-disulfonato-6-(6-sulfonatobenzo[e]benzotriazol-2-yl)naphthalen-2-yl]diazenyl]-7-(6-sulfonatobenzo[e]benzotriazol-2-yl)naphthalene-1,5-disulfonate|hexasodium,3-[[4,8-disulfonato-6-(6-sulfonatobenzo[e]benzotriazol-2-yl)naphthalen-2-yl]diazenyl]-7-(6-sulfonatobenzo[e]benzotriazol-2-yl)naphthalene-1,5-disulfonate

CAS: 6508-68-5
Molecular Formula C40H18N8Na6O18S6
Molecular Weight 1227.845 g/mol
LogP -14.3688
Topological Polar Surface Area 429.34 Ų
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 24
Rotatable Bonds 10
Exact Mass 1227.845
Monoisotopic Mass 1227.845
Heavy Atoms 78
Complexity 4594.918

Chemical Identifiers

CAS Number 6508-68-5
SMILES C1=CC2=C(C=CC3=NN(N=C23)C4=CC5=C(C=C(C=C5S(=O)(=O)[O-])N=NC6=CC7=C(C=C(C=C7S(=O)(=O)[O-])N8N=C9C=CC2=C(C9=N8)C=CC=C2S(=O)(=O)[O-])C(=C6)S(=O)(=O)[O-])C(=C4)S(=O)(=O)[O-])C(=C1)S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+]

Product Overview

Einecs 229-400-5 (CAS 6508-68-5), with molecular formula C40H18N8Na6O18S6 and molecular weight 1227.845 g/mol. IUPAC: hexasodium;3-[[4,8-disulfonato-6-(6-sulfonatobenzo[e]benzotriazol-2-yl)naphthalen-2-yl]diazenyl]-7-(6-sulfonatobenzo[e]benzotriazol-2-yl)naphthalene-1,5-disulfonate.

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Safety Data Sheet (MSDS / SDS) View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
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