Basic information
- CAS
28611-34-9- Standard SMILES
O=S(O)CNc1cc2c3ccccc3ccc2c2ccccc12.[Na+]- InChIKey
FSPUVXRYHCWJAB-UHFFFAOYSA-N- Molecular formula
- C19H15NNaO2S+
- Average molar mass
- 344.4 g/mol
- Monoisotopic mass
- 344.07211918
Names & identifiers
- Preferred name
- Sodium;(chrysen-6-ylamino)methanesulfinic acid
- IUPAC
- sodium (chrysen-6-ylamino)methanesulfinic acid
Names & synonyms
28611-34-9sodium;(chrysen-6-ylamino)methanesulfinic acidDTXSID90712488NSC141668NSC-141668
Database identifiers
- CAS
28611-34-9- PubChem CID
- 54598536
- DTXSID
DTXSID90712488
Properties
Computed structural properties
- Topological polar surface area
- 68.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 24
- Formal charge
- 1
- Complexity
- 443
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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