Basic information
- CAS
133684-99-8- Standard SMILES
Nc1ccc2cc(S(=O)(=O)CCO)ccc2c1S(=O)(=O)O- InChIKey
JXDTUKXBYBYRFR-UHFFFAOYSA-N- Molecular formula
- C12H13NO6S2
- Average molar mass
- 331.4 g/mol
- Monoisotopic mass
- 331.01842948
Names & identifiers
- Preferred name
- 2-Amino-6-((2-hydroxyethyl)sulfonyl)-1-naphthalenesulfonic acid
- IUPAC
- 2-amino-6-(2-hydroxyethylsulfonyl)naphthalene-1-sulfonic acid
Names & synonyms
2-Amino-6-[(2-hydroxyethyl)sulfonyl]-1-naphthalenesulfonic acid133684-99-82-Amino-6-((2-hydroxyethyl)sulfonyl)-1-naphthalenesulfonic acidRefChem:255772SCHEMBL10390948DTXSID5011737382-Amino-6-(2-hydroxyethanesulfonyl)naphthalene-1-sulfonic acid
Database identifiers
- CAS
133684-99-8- PubChem CID
- 53979331
- DTXSID
DTXSID501173738
Properties
Computed structural properties
- XLogP
- 0.3
- Topological polar surface area
- 152 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 562
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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