Basic information
- CAS
3219-56-5- Standard SMILES
O=S(=O)(O)c1ccc(O)c(N=Nc2c(O)ccc3ccccc23)c1- InChIKey
IGLJWNJJOFKOTF-UHFFFAOYSA-N- Molecular formula
- C16H12N2O5S
- Average molar mass
- 344.3 g/mol
- Monoisotopic mass
- 344.04669248
Names & identifiers
- Preferred name
- 4-Hydroxy-3-(2-(2-hydroxy-1-naphthalenyl)diazenyl)benzenesulfonic acid
- IUPAC
- 4-hydroxy-3-[(2-hydroxynaphthalen-1-yl)diazenyl]benzenesulfonic acid
Names & synonyms
3219-56-54-Hydroxy-3-(2-(2-hydroxy-1-naphthalenyl)diazenyl)benzenesulfonic acid4-Hydroxy-3-[2-(2-hydroxy-1-naphthalenyl)diazenyl]benzenesulfonic acidRefChem:293202Benzenesulfonic acid, 4-hydroxy-3-[(2-hydroxy-1-naphthalenyl)azo]-SCHEMBL3003884SCHEMBL3003885CHEMBL2009321SCHEMBL19322486DTXSID00422844DTXSID90862831IGLJWNJJOFKOTF-UHFFFAOYSA-N
Show more names
NCI60_0005731-(2-hydroxy-5-sulfophenylazo)-2-naphthol1-[(2-hydroxynaphthyl)azo]-2-hydroxybenzene-5-sulfonic acidbenzenesulfonic acid, 4-hydroxy-3-(2-hydroxynaphth-1-ylazo)-4-Hydroxy-3-((2-hydroxynaphthalen-1-yl)diazenyl)benzenesulfonic acid4-Hydroxy-3-[(2-hydroxynaphthalen-1-yl)diazenyl]benzene-1-sulfonic acid4-Hydroxy-3-[(2Z)-2-(2-oxonaphthalen-1(2H)-ylidene)hydrazin-1-yl]benzene-1-sulfonic acid
Database identifiers
- CAS
3219-56-5- PubChem CID
- 16410
- DTXSID
DTXSID90862831- ChEMBL
CHEMBL2009321- Nikkaji
- J968.478F
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 128 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 3
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 561
Related reactions
4 records
Compound notes
Loading…