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Disodium 8-((4-methylphenyl)amino)-5-((4-(phenylazo)-7-sulphonatonaphthyl)azo)naphthalenesulphonate

HCID 80822
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Basic informationNames & identifiersPropertiesChemistry & industryRelated reactionsCompound notes
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Basic information

CAS
6406-32-2
Standard SMILES
Cc1ccc(Nc2ccc(N=Nc3ccc(N=Nc4ccccc4)c4ccc(S(=O)(=O)[O-])cc34)c3cccc(S(=O)(=O)[O-])c23)cc1.[Na+].[Na+]
InChIKey
WIJFNHCSNFYEFH-UHFFFAOYSA-L
Molecular formula
C33H23N5Na2O6S2
Average molar mass
695.7 g/mol
Monoisotopic mass
695.08851438

Names & identifiers

Preferred name
Disodium 8-((4-methylphenyl)amino)-5-((4-(phenylazo)-7-sulphonatonaphthyl)azo)naphthalenesulphonate
IUPAC
disodium;8-(4-methylanilino)-5-[(4-phenyldiazenyl-7-sulfonatonaphthalen-1-yl)diazenyl]naphthalene-1-sulfonate

Names & synonyms

6406-32-2Disodium 8-((4-methylphenyl)amino)-5-((4-(phenylazo)-7-sulphonatonaphthyl)azo)naphthalenesulphonateDTXSID00889519Disodium 8-[(4-methylphenyl)amino]-5-[[4-(phenylazo)-7-sulphonatonaphthyl]azo]naphthalenesulphonateRefChem:339158DTXCID801030880229-027-8disodium;8-(4-methylanilino)-5-[(4-phenyldiazenyl-7-sulfonatonaphthalen-1-yl)diazenyl]naphthalene-1-sulfonate1-Naphthalenesulfonic acid, 8-((4-methylphenyl)amino)-5-((4-(phenylazo)-7-sulfo-1-naphthalenyl)azo)-, disodium salt1-Naphthalenesulfonic acid, 8-[(4-methylphenyl)amino]-5-[[4-(phenylazo)-7-sulfo-1-naphthalenyl]azo]-, disodium saltEINECS 229-027-8WIJFNHCSNFYEFH-UHFFFAOYSA-L
Show more names
NS00046938Disodium 8-(4-methylanilino)-5-{[4-(phenyldiazenyl)-7-sulfonatonaphthalen-1-yl]diazenyl}naphthalene-1-sulfonate

Database identifiers

Properties

Computed structural properties

Topological polar surface area
193 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
11
Rotatable bonds
6
Heavy atoms
48
Formal charge
0
Complexity
1,260

Chemistry & industry

Uses & manufacturing

General Manufacturing Information1-Naphthalenesulfonic acid, 8-[(4-methylphenyl)amino]-5-[2-[4-(2-phenyldiazenyl)-7-sulfo-1-naphthalenyl]diazenyl]-, sodium salt (1:2): INACTIVE

Related reactions

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Compound notes

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On this pageBasic informationNames & identifiersPropertiesChemistry & industryRelated reactionsCompound notes
CAS
6406-32-2
PubChem CID
80822
DTXSID
DTXSID00889519
EC Number
229-027-8
Nikkaji
J36.910A