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2-Naphthalenecarboxamide, 4,4'-(1,2-ethanediylbis(iminosulfonyl(6-methoxy-3,1-phenylene)-2,1-diazenediyl))bis(N-(4-ethoxyphenyl)-3-hydroxy-

HCID 175106
NotesReactions
Basic informationNames & identifiersPropertiesChemistry & industryRelated reactionsCompound notes
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Basic information

CAS
12216-95-4
Standard SMILES
CCOc1ccc(NC(=O)c2cc3ccccc3c(N=Nc3cc(S(=O)(=O)NCCNS(=O)(=O)c4ccc(OC)c(N=Nc5c(O)c(C(=O)Nc6ccc(OCC)cc6)cc6ccccc56)c4)ccc3OC)c2O)cc1
InChIKey
DDDSUFDAAPUMSW-UHFFFAOYSA-N
Molecular formula
C54H50N8O12S2
Average molar mass
1,067.2 g/mol
Monoisotopic mass
1,066.29896141

Names & identifiers

Preferred name
2-Naphthalenecarboxamide, 4,4'-(1,2-ethanediylbis(iminosulfonyl(6-methoxy-3,1-phenylene)-2,1-diazenediyl))bis(N-(4-ethoxyphenyl)-3-hydroxy-
IUPAC
N-(4-ethoxyphenyl)-4-[[5-[2-[[3-[[3-[(4-ethoxyphenyl)carbamoyl]-2-hydroxynaphthalen-1-yl]diazenyl]-4-methoxyphenyl]sulfonylamino]ethylsulfamoyl]-2-methoxyphenyl]diazenyl]-3-hydroxynaphthalene-2-carboxamide
English name
C.I.Pigment Red 164
Molecular formula
C54H50N8O12S2
Molecular weight
1067.1512

Names & synonyms

EINECS 276-758-312216-95-42-Naphthalenecarboxamide, 4,4'-[1,2-ethanediylbis[iminosulfonyl(6-methoxy-3,1-phenylene)azo]]bis[N-(4-ethoxyphenyl)-3-hydroxy-1,2-Bis(3-((3-(4-ethoxyphenylaminocarbonyl)-2-hydroxynaphth-1-yl)azo)-4-methoxyphenylsulfonylamino)ethane2-Naphthalenecarboxamide, 4,4'-(1,2-ethanediylbis(iminosulfonyl(6-methoxy-3,1-phenylene)-2,1-diazenediyl))bis(N-(4-ethoxyphenyl)-3-hydroxy-2-Naphthalenecarboxamide, 4,4'-(1,2-ethanediylbis(iminosulfonyl(6-methoxy-3,1-phenylene)azo))bis(N-(4-ethoxyphenyl)-3-hydroxy-2-Naphthalenecarboxamide, 4,4'-[1,2-ethanediylbis[iminosulfonyl(6-methoxy-3,1-phenylene)-2,1-diazenediyl]]bis[N-(4-ethoxyphenyl)-3-hydroxy-RefChem:476442601-841-172659-69-9DTXSID3072583SCHEMBL21436715
Show more names
Pigment Red 164Helio Fast Red GGC.I.Pigment Red 164
DDDSUFDAAPUMSW-UHFFFAOYSA-NNS000635814,4'-(Ethylenebis(iminosulphonyl(6-methoxy-3,1-phenylene)azo))bis(N-(4-ethoxyphenyl)-3-hydroxynaphthalene-2-carboxamide)4,4'-{Ethane-1,2-diylbis[sulfamoyl(6-methoxy-3,1-phenylene)diazene-2,1-diyl]}bis[N-(4-ethoxyphenyl)-3-hydroxynaphthalene-2-carboxamide]N-(4-ethoxyphenyl)-4-[[5-[2-[[3-[[3-[(4-ethoxyphenyl)carbamoyl]-2-hydroxynaphthalen-1-yl]diazenyl]-4-methoxyphenyl]sulfonylamino]ethylsulfamoyl]-2-methoxyphenyl]diazenyl]-3-hydroxynaphthalene-2-carboxamide

Properties

Computed structural properties

XLogP
10.3
Topological polar surface area
294 Ų
Hydrogen bond donors
6
Hydrogen bond acceptors
18
Rotatable bonds
21
Heavy atoms
76
Formal charge
0
Complexity
1,990

Chemistry & industry

Uses & manufacturing

General Manufacturing Information2-Naphthalenecarboxamide, 4,4'-[1,2-ethanediylbis[iminosulfonyl(6-methoxy-3,1-phenylene)-2,1-diazenediyl]]bis[N-(4-ethoxyphenyl)-3-hydroxy-: INACTIVE

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Compound notes

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On this pageBasic informationNames & identifiersPropertiesChemistry & industryRelated reactionsCompound notes

Database identifiers

CAS
12216-95-4、72659-69-9
PubChem CID
175106
DTXSID
DTXSID3072583
EC Number
276-758-3、601-841-1
Nikkaji
J296.339F