6-(Acetylamino)-4-hydroxy-3-(2-(4-((2-(sulfooxy)ethyl)sulfonyl)phenyl)diazenyl)-2-naphthalenesulfonic acid
Basic information
- CAS
109603-48-7- Standard SMILES
CC(=O)Nc1ccc2cc(S(=O)(=O)O)c(N=Nc3ccc(S(=O)(=O)CCOS(=O)(=O)O)cc3)c(O)c2c1- InChIKey
INOIOAWTVPHTCJ-UHFFFAOYSA-N- Molecular formula
- C20H19N3O11S3
- Average molar mass
- 573.6 g/mol
- Monoisotopic mass
- 573.01817195
Names & identifiers
- Preferred name
- 6-(Acetylamino)-4-hydroxy-3-(2-(4-((2-(sulfooxy)ethyl)sulfonyl)phenyl)diazenyl)-2-naphthalenesulfonic acid
- IUPAC
- 6-acetamido-4-hydroxy-3-[[4-(2-sulfooxyethylsulfonyl)phenyl]diazenyl]naphthalene-2-sulfonic acid
- English name
- reactive orange
- Molecular formula
- C20H19N3O11S3
- Molecular weight
- 0
Names & synonyms
DTXSID3086493027761-75-76-(Acetylamino)-4-hydroxy-3-[2-[4-[[2-(sulfooxy)ethyl]sulfonyl]phenyl]diazenyl]-2-naphthalenesulfonic acid6-(Acetylamino)-4-hydroxy-3-(2-(4-((2-(sulfooxy)ethyl)sulfonyl)phenyl)diazenyl)-2-naphthalenesulfonic acidRefChem:1073714DTXCID40813393Brilliant orange 3RReactive orangePS44 Cpd109603-48-72-((4-(7-Acetamido-1-hydroxy-3-sulfo-2-naphthylazo)phenyl)sulfonyl)ethyl sulfateSCHEMBL13880628
Show more names
(3Z)-6-acetamido-4-oxo-3-[[4-(2-sulfooxyethylsulfonyl)phenyl]hydrazinylidene]naphthalene-2-sulfonic acid
SCHEMBL14529309SCHEMBL31519881NS000076912-Naphthalenesulfonic acid, 6-(acetylamino)-4-hydroxy-3-((4-((2-(sulfooxy)ethyl)sulfonyl)phenyl)azo-6-Acetamido-4-hydroxy-3-({4-[2-(sulfooxy)ethanesulfonyl]phenyl}diazenyl)naphthalene-2-sulfonic acid6-acetamido-4-hydroxy-3-[(E)-[4-(2-sulfooxyethylsulfonyl)phenyl]azo]naphthalene-2-sulfonic acid
Database identifiers
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 251 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 13
- Rotatable bonds
- 9
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 1,150
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…