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4-Amino-6-((6-amino-2-hydroxy-4-sulpho-1-naphthyl)azo)-5-hydroxynaphthalene-1,3-disulphonic acid

HCID 90159
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Basic information

CAS
23554-16-7
Standard SMILES
Nc1ccc2c(N=Nc3ccc4c(S(=O)(=O)O)cc(S(=O)(=O)O)c(N)c4c3O)c(O)cc(S(=O)(=O)O)c2c1
InChIKey
DTCBDSOJBSDRPZ-UHFFFAOYSA-N
Molecular formula
C20H16N4O11S3
Average molar mass
584.6 g/mol
Monoisotopic mass
583.99777086

Names & identifiers

Preferred name
4-Amino-6-((6-amino-2-hydroxy-4-sulpho-1-naphthyl)azo)-5-hydroxynaphthalene-1,3-disulphonic acid
IUPAC
4-amino-6-[(6-amino-2-hydroxy-4-sulfonaphthalen-1-yl)diazenyl]-5-hydroxynaphthalene-1,3-disulfonic acid
English name
4-amino-6-[(6-amino-2-hydroxy-4-sulpho-1-naphthyl)azo]-5-hydroxynaphthalene-1,3-disulphonic acid
Molecular formula
C20H16N4O11S3
Molecular weight
584.56

Names & synonyms

23554-16-7EINECS 245-731-84-Amino-6-((6-amino-2-hydroxy-4-sulpho-1-naphthyl)azo)-5-hydroxynaphthalene-1,3-disulphonic acidSCHEMBL14493385DTCBDSOJBSDRPZ-UHFFFAOYSA-NDTXSID801110682NS000506524-Amino-6-[2-(6-amino-2-hydroxy-4-sulfo-1-naphthalenyl)diazenyl]-5-hydroxy-1,3-naphthalenedisulfonic acid4-Amino-6-[(6-amino-2-hydroxy-4-sulfo-1-naphthyl)azo]-5-hydroxynaphthalene-1,3-disulfonic acid4-amino-6-[(6-amino-2-hydroxy-4-sulpho-1-naphthyl)azo]-5-hydroxynaphthalene-1,3-disulphonic acid4-Amino-6-[(6-amino-2-hydroxy-4-sulfo-1-naphthalenyl)azo]-5-hydroxy-1,3-naphthalenedisulfonic acid1,3-Naphthalenedisulfonic acid, 4-amino-6-[2-(6-amino-2-hydroxy-4-sulfo-1-naphthalenyl)diazenyl]-5-hydroxy-
Show more names
4-amino-6-[2-(6-amino-2-oxo-4-sulfonaphthalen-1-ylidene)hydrazinyl]-5-hydroxynaphthalene-1,3-disulfonic acid

Properties

Computed structural properties

XLogP
0.9
Topological polar surface area
305 Ų
Hydrogen bond donors
7
Hydrogen bond acceptors
15
Rotatable bonds
5
Heavy atoms
38
Formal charge
0
Complexity
1,230

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Compound notes

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Database identifiers

CAS
23554-16-7
PubChem CID
90159
DTXSID
DTXSID801110682
EC Number
245-731-8
Nikkaji
J228.998I