Basic information
- CAS
6937-76-4- Standard SMILES
O=C1c2ccc(S(=O)(=O)O)c(O)c2C(=O)c2ccc(S(=O)(=O)O)c(O)c21- InChIKey
AWVNGKBCZDBCJB-UHFFFAOYSA-N- Molecular formula
- C14H8O10S2
- Average molar mass
- 400.3 g/mol
- Monoisotopic mass
- 399.95588879
Names & identifiers
- Preferred name
- 1,5-Dihydroxy-9,10-dioxo-9,10-dihydro-2,6-anthracenedisulfonic acid
- IUPAC
- 1,5-dihydroxy-9,10-dioxoanthracene-2,6-disulfonic acid
Names & synonyms
1,5-Dihydroxy-9,10-dioxo-9,10-dihydro-2,6-anthracenedisulfonic acid6937-76-4NSC 39933DTXSID60219459RefChem:221295DTXCID301419506492-85-91,5-dihydroxy-9,10-dioxoanthracene-2,6-disulfonic acidNSC399332,6-Anthracenedisulfonic acid, 9,10-dihydro-1,5-dihydroxy-9,10-dioxo-1,5-DIHYDROXY-9,10-DIOXO-9,10-DIHYDROANTHRACENE-2,6-DISULFONIC ACIDCBDivE_010922
Show more names
SCHEMBL6905576AKOS000592466ST502324691,5-dihydroxy-9,10-anthraquinone-2,6-disulfonic acid1,5-dihydroxy-9,10-dioxo-anthracene-2,6-disulfonic acid
Database identifiers
- CAS
6937-76-4- PubChem CID
- 412447
- DTXSID
DTXSID60219459- Nikkaji
- J32.533C
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 200 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 2
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 751
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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