Benzoic acid, 5-[2-[[[4-[2-(3-carboxy-4-hydroxyphenyl)diazenyl]phenyl]thio]phenyl]diazenyl]-2-hydroxy-
Basic information
- CAS
68391-17-3- Standard SMILES
O=C(O)c1cc(N=Nc2ccc(Sc3ccc(N=Nc4ccc(O)c(C(=O)O)c4)cc3)cc2)ccc1O- InChIKey
KPDMSHIPXXAVNZ-UHFFFAOYSA-N- Molecular formula
- C26H18N4O6S
- Average molar mass
- 514.5 g/mol
- Monoisotopic mass
- 514.09470548
Names & identifiers
- Preferred name
- Benzoic acid, 5-[2-[[[4-[2-(3-carboxy-4-hydroxyphenyl)diazenyl]phenyl]thio]phenyl]diazenyl]-2-hydroxy-
- IUPAC
- 5-[[4-[4-[(3-carboxy-4-hydroxyphenyl)diazenyl]phenyl]sulfanylphenyl]diazenyl]-2-hydroxybenzoic acid
- English name
- 5-[[[[4-[(3-carboxy-4-hydroxyphenyl)azo]phenyl]thio]phenyl]azo]salicylic acid
- Molecular formula
- C26H18N4O6S
- Molecular weight
- 514.50932
Names & synonyms
EINECS 269-932-5Benzoic acid, 5-((((4-((3-carboxy-4-hydroxyphenyl)azo)phenyl)thio)phenyl)azo)-2-hydroxy-Benzoic acid, 5-(2-(((4-(2-(3-carboxy-4-hydroxyphenyl)diazenyl)phenyl)thio)phenyl)diazenyl)-2-hydroxy-Benzoic acid, 5-[[[[4-[(3-carboxy-4-hydroxyphenyl)azo]phenyl]thio]phenyl]azo]-2-hydroxy-Benzoic acid, 5-[2-[[[4-[2-(3-carboxy-4-hydroxyphenyl)diazenyl]phenyl]thio]phenyl]diazenyl]-2-hydroxy-RefChem:56607268391-17-380234-33-95,5'-Thiobis(p-phenyleneazo)disalicylic acidThiodiphenyl-4,4'-diazo-bis-salicylic acidKK5SB4Y8AWSalicylic acid, 5,5'-thiobis(p-phenyleneazo)di-
Show more names
5-[[[[4-[(3-carboxy-4-hydroxyphenyl)azo]phenyl]thio]phenyl]azo]salicylic acidBenzoic acid, 5-[[[[4-[(3-carboxy-4-hydroxyphenyl) azo]phenyl]thio]phenyl]azo]-2-hydroxy-
SCHEMBL14596721DTXSID10864130KPDMSHIPXXAVNZ-UHFFFAOYSA-NChromacid Fast Yellow J Free BaseBenzoic acid, 3,3'-[thiobis(4,1-phenyleneazo)]bis[6-hydroxy-3,3'-(Sulfanediylbis(benzene-4,1-diyl-2,1-diazenediyl))bis(6-hydroxybenzoic acid)3,3'-[Sulfanediylbis(4,1-phenylenediazene-2,1-diyl)]bis(6-hydroxybenzoic acid)5-((((4-((3-Carboxy-4-hydroxyphenyl)azo)phenyl)thio)phenyl)azo)salicylic acid
Properties
Computed structural properties
- XLogP
- 7
- Topological polar surface area
- 190 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 8
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 762
Physicochemical properties
- EPA Substance Registry System
- 5 · Benzoic acid, 5-[[[[4-[(3-carboxy-4-hydroxyphenyl)azo]phenyl]thio]phenyl]azo]-2-hydroxy- (68391-17-3)
- TSCA
- TSCA listed
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationBenzoic acid, 5-[2-[[[4-[2-(3-carboxy-4-hydroxyphenyl)diazenyl]phenyl]thio]phenyl]diazenyl]-2-hydroxy-: INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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