Basic information
- CAS
88963-71-7- Standard SMILES
CC(=O)Nc1cc(S(=O)(=O)O)cc2cc(S(=O)(=O)O)cc(S(=O)(=O)O)c12- InChIKey
HUJYUXTZJPLIQJ-UHFFFAOYSA-N- Molecular formula
- C12H11NO10S3
- Average molar mass
- 425.4 g/mol
- Monoisotopic mass
- 424.95450907
Names & identifiers
- Preferred name
- 1,3,6-Naphthalenetrisulfonic acid, 8-(acetylamino)-
- IUPAC
- 8-acetamidonaphthalene-1,3,6-trisulfonic acid
Names & synonyms
1,3,6-Naphthalenetrisulfonic acid, 8-(acetylamino)-8AcNHNaphth-1,3,6triSO3H88963-71-78-acetamidonaphthalene-1,3,6-trisulfonic acidCHEMBL142550DTXSID80237438
Database identifiers
- CAS
88963-71-7- PubChem CID
- 454584
- DTXSID
DTXSID80237438- ChEMBL
CHEMBL142550- Nikkaji
- J527.794I
Properties
Computed structural properties
- XLogP
- -1.4
- Topological polar surface area
- 217 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 4
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 862
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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