Basic information
- Standard SMILES
O=C1c2ccccc2C(=O)c2c(Nc3ccc(S(=O)(=O)c4ccccc4)cc3)cccc21- InChIKey
KENBLFRKIMERGS-UHFFFAOYSA-N- Molecular formula
- C26H17NO4S
- Average molar mass
- 439.5 g/mol
Overview
See also: Anthraquinone, 1-[p-(phenylsulfonyl)anilino]- (annotation moved to).
Names & identifiers
- Preferred name
- 9,10-Anthracenedione, 1-((4-(phenylsulfonyl)phenyl)amino)-
- IUPAC
- 1-[4-(benzenesulfonyl)anilino]anthracene-9,10-dione
- English name
- C.I. Solvent Red 138
- Molecular formula
- C26H17NO4S
- Molecular weight
- 439.48248
Names & synonyms
1-(p-(Phenylsulphonyl)anilino)anthraquinone9,10-Anthracenedione, 1-[[4-(phenylsulfonyl)phenyl]amino]-EINECS 240-092-15BPQ35UN5P1-[p-(Phenylsulphonyl)anilino]anthraquinoneDTXSID10659789,10-Anthracenedione, 1-((4-(phenylsulfonyl)phenyl)amino)-1-((4-(PHENYLSULFONYL)PHENYL)AMINO)-9,10-ANTHRACENEDIONE1-[[4-(Phenylsulfonyl)phenyl]amino]-9,10-anthracenedioneRefChem:107463DTXCID303513715958-61-9
Show more names
C.I. Solvent Red 138
1-[4-(benzenesulfonyl)anilino]anthracene-9,10-dioneUNII-5BPQ35UN5PSCHEMBL11605395KENBLFRKIMERGS-UHFFFAOYSA-NNS00025194
Database identifiers
- CAS
61931-54-2- UNII
- 5BPQ35UN5P
- EC Number
- 240-092-1
- Nikkaji
- J219.913K
Properties
Computed structural properties
- XLogP
- 6.2
- Topological polar surface area
- 88.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 804
Safety & regulation
Hazard information
Regulatory InformationHazard Traits - Bioaccumulation; Environmental Persistence
Chemistry & industry
Uses & manufacturing
General Manufacturing Information9,10-Anthracenedione, 1-[[4-(phenylsulfonyl)phenyl]amino]-: ACTIVE
Related reactions
0 records
No reaction records under the current filter.
Linked notes
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