Basic information
- CAS
65894-78-2- Standard SMILES
Nc1c(S(=O)(=O)O)cc(C(=O)c2ccccc2)c2c1C(=O)c1ccccc1C2=O- InChIKey
KXHYQFMBZVSEIX-UHFFFAOYSA-N- Molecular formula
- C21H13NO6S
- Average molar mass
- 407.4 g/mol
- Monoisotopic mass
- 407.04635831
Names & identifiers
- Preferred name
- 2-Anthracenesulfonic acid, 9,10-dihydro-1-amino-4-benzoyl-9,10-dioxo-
- IUPAC
- 1-amino-4-benzoyl-9,10-dioxoanthracene-2-sulfonic acid
Names & synonyms
1A-4B-20A [Russian]1-Amino-4-benzoylanthraquinone-2-sulfonic acid2-ANTHRACENESULFONIC ACID, 9,10-DIHYDRO-1-AMINO-4-BENZOYL-9,10-DIOXO-1A-4B-20A2-Anthraquinonesulfonic acid, 1-amino-4-benzoyl-65894-78-2DTXSID20216101RefChem:256115DTXCID801385921-Amino-4-benzoyl-9,10-dioxo-9,10-dihydroanthracene-2-sulfonic acid
Database identifiers
- CAS
65894-78-2- PubChem CID
- 47753
- DTXSID
DTXSID20216101
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 140 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 3
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 796
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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