Basic information
- CAS
61736-92-3- Standard SMILES
O=S(=O)(O)c1cccc2cc3cccc(S(=O)(=O)O)c3cc12- InChIKey
YSXNTXIZPHOURT-UHFFFAOYSA-N- Molecular formula
- C14H10O6S2
- Average molar mass
- 338.4 g/mol
- Monoisotopic mass
- 337.99188038
Names & identifiers
- Preferred name
- 1,8-Anthracenedisulfonic acid
- IUPAC
- anthracene-1,8-disulfonic acid
Names & synonyms
1,8-ANTHRACENEDISULFONIC ACIDDTXSID8027545661736-92-3RefChem:221744DTXCID90226898anthracene-1,8-disulfonic acidSCHEMBL686854SCHEMBL29987260YSXNTXIZPHOURT-UHFFFAOYSA-N
Database identifiers
- CAS
61736-92-3- PubChem CID
- 43773
- DTXSID
DTXSID80275456- Nikkaji
- J1.622.239I
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 126 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 561
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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