Basic information
- CAS
92313-18-3- Standard SMILES
CCCC(=O)Nc1cc(S(=O)(=O)O)cc2cc(S(=O)(=O)O)cc(O)c12- InChIKey
PQAIIVXVGVQCHU-UHFFFAOYSA-N- Molecular formula
- C14H15NO8S2
- Average molar mass
- 389.4 g/mol
- Monoisotopic mass
- 389.02390878
Names & identifiers
- Preferred name
- 4-Butanamido-5-hydroxynaphthalene-2,7-disulfonic acid
- IUPAC
- 4-(butanoylamino)-5-hydroxynaphthalene-2,7-disulfonic acid
Names & synonyms
92313-18-3NSC5072864-Butanamido-5-hydroxynaphthalene-2,7-disulfonic acidDTXSID70325434NSC-507286
Database identifiers
- CAS
92313-18-3- PubChem CID
- 350106
- DTXSID
DTXSID70325434
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 175 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 5
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 693
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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