Basic information
- CAS
25317-33-3- Standard SMILES
CC(=O)Nc1cc(S(=O)(=O)O)cc2cc(S(=O)(=O)O)c(N=Nc3ccccc3C)c(O)c12- InChIKey
MWQZCIAZVZWFDV-UHFFFAOYSA-N- Molecular formula
- C19H17N3O8S2
- Average molar mass
- 479.5 g/mol
- Monoisotopic mass
- 479.04570686
Names & identifiers
- Preferred name
- 5-Acetamido-4-hydroxy-3-[(2-methylphenyl)diazenyl]naphthalene-2,7-disulfonic acid
- IUPAC
- 5-acetamido-4-hydroxy-3-[(2-methylphenyl)diazenyl]naphthalene-2,7-disulfonic acid
Names & synonyms
SCHEMBL110153SCHEMBL1139743SCHEMBL15115262DTXSID708638415-Acetamido-4-hydroxy-3-[(2-methylphenyl)diazenyl]naphthalene-2,7-disulfonic acid25317-33-3
Database identifiers
- CAS
25317-33-3- PubChem CID
- 80917
- DTXSID
DTXSID70863841- Nikkaji
- J1.953.403K
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 200 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 5
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 927
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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