Basic information
- CAS
73698-38-1- Standard SMILES
O=C1c2ccccc2C(=O)c2c(Nc3ccc(S(=O)(=O)O)cc3)c(O)cc(O)c21- InChIKey
RURPWPDATVDWRR-UHFFFAOYSA-N- Molecular formula
- C20H13NO7S
- Average molar mass
- 411.4 g/mol
- Monoisotopic mass
- 411.04127293
Names & identifiers
- Preferred name
- 4-(2,4-Dihydroxy-1-anthraquinonylamino)benzenesulfonic acid
- IUPAC
- 4-[(2,4-dihydroxy-9,10-dioxoanthracen-1-yl)amino]benzenesulfonic acid
Names & synonyms
C.I. 6361573698-38-1CERN moridlova 13 [Czech]CERN moridlova 134-(2,4-Dihydroxy-1-anthraquinonylamino)benzenesulfonic acidCern Mo rava alizarinova B [Czech]Cern Mo rava alizarinova BBenzenesulfonic acid, 4-(2,4-dihydroxy-1-anthraquinonylamino)-DTXSID902239884-[(2,4-dihydroxy-9,10-dioxo-9,10-dihydroanthracen-1-yl)amino]benzene-1-sulfonic acid
Database identifiers
- CAS
73698-38-1- PubChem CID
- 3056331
- DTXSID
DTXSID90223988- Nikkaji
- J62.195A
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 149 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 3
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 755
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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