Basic information
- CAS
7496-03-9- Standard SMILES
O=S(=O)(O)c1cc2c3ccccc3ccc2c2ccccc12.c1ccncc1- InChIKey
OUCPTKZFXXQSNX-UHFFFAOYSA-N- Molecular formula
- C23H17NO3S
- Average molar mass
- 387.5 g/mol
- Monoisotopic mass
- 387.09291458
Names & identifiers
- Preferred name
- Chrysene-6-sulfonic acid; pyridine
- IUPAC
- chrysene-6-sulfonic acid;pyridine
Names & synonyms
7496-03-9chrysene-6-sulfonic acid; pyridineNSC407610DTXSID50324728NSC-407610Chrysene-6-sulfonic acid--pyridine (1/1)
Database identifiers
- CAS
7496-03-9- PubChem CID
- 348341
- DTXSID
DTXSID50324728
Properties
Computed structural properties
- Topological polar surface area
- 75.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 540
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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