Substance
- Substance Name: 1,8-dihydroxy-4,5-dinitro-9,10-anthracenedione
- Formula: C14H6N2O8
- Molecular Weight: 330.21 g/mol
- Identifiers:
- casrn: 81-55-0
- pubchemId: 3378440
- iupacname: 1,8-dihydroxy-4,5-dinitroanthracene-9,10-dione
- inchi: InChI=1S/C14H6N2O8/c17-7-3-1-5(15(21)22)9-11(7)14(20)12-8(18)4-2-6(16(23)24)10(12)13(9)19/h1-4,17-18H
- inchikey: GJCHQJDEYFYWER-UHFFFAOYSA-N
- csmiles: C1=CC(=C2C(=C1[N+](=O)[O-])C(=O)C3=C(C=CC(=C3C2=O)O)[N+](=O)[O-])O
- ismiles: C1=CC(=C2C(=C1[N+](=O)[O-])C(=O)C3=C(C=CC(=C3C2=O)O)[N+](=O)[O-])O
- wikidataId: Q27279889
- chemspiderId: 2623724
- dsstoxcmpId: DTXCID005076
- chemblId: CHEMBL1535689
- ecnumber: 201-360-3
1,8-dihydroxy-4,5-dinitro-9,10-anthracenedione
Systems and Datasets
- 1,8-dihydroxy-4,5-dinitro-9,10-anthracenedione + carbon dioxide (Datasets: 1)
- Dataset 2 in paper 10.1021/acs.jced.5b00480 (Dataseries: 3, Datapoints: 15, Quantity: Mole fraction)