4,5-Dihydroxy-3-[(4-sulfophenyl)diazenyl]naphthalene-2,7-disulfonic acid
Basic information
- CAS
548-81-2- Standard SMILES
O=S(=O)(O)c1ccc(N=Nc2c(S(=O)(=O)O)cc3cc(S(=O)(=O)O)cc(O)c3c2O)cc1- InChIKey
QUIGZRGHRCBCRU-UHFFFAOYSA-N- Molecular formula
- C16H12N2O11S3
- Average molar mass
- 504.5 g/mol
- Monoisotopic mass
- 503.96032272
Names & identifiers
- Preferred name
- 4,5-Dihydroxy-3-[(4-sulfophenyl)diazenyl]naphthalene-2,7-disulfonic acid
- IUPAC
- 4,5-dihydroxy-3-[(4-sulfophenyl)diazenyl]naphthalene-2,7-disulfonic acid
Names & synonyms
548-81-2NSC298196SCHEMBL2161281SCHEMBL3042237NSC-2981962,7-Naphthalenedisulfonic acid, 4,5-dihydroxy-3-(4-sulfophenylazo)-2-(p-sulphophenylazo)-1,8-dihydroxy naphthalene-3,6-disulphonic acid
Database identifiers
- CAS
548-81-2- PubChem CID
- 90222
- Nikkaji
- J402.053G
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 253 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 13
- Rotatable bonds
- 5
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 1,020
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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