Nitroglycerin


Nitroglycerin
DEDuCT identifierDED000818
PubChem identifier4510
CAS identifier55-63-0
DSSTox identifierDTXSID1021407
IUPAC name1,3-dinitrooxypropan-2-yl nitrate
Category based on type of supporting evidenceCategory III
Broad category based on environmental sourceConsumer Products, Medicine and Healthcare, Pollutant
Sub-category based on environmental sourcePersonal and Healthcare Products, Drugs and Pharmaceuticals, Explosives
Chemical kingdomOrganic compounds
Chemical super-classOrganic oxygen compounds
Chemical classOrganic oxoanionic compounds
SMILES[O-][N+](=O)OC(CO[N+](=O)[O-])CO[N+](=O)[O-]
InChIInChI=1S/C3H5N3O9/c7-4(8)13-1-3(15-6(11)12)2-14-5(9)10/h3H,1-2H2
InChIKeySNIOPGDIGTZGOP-UHFFFAOYSA-N

Download structure:
2D:2D MOL2D MOL22D SDF
3D:3D MOL3D MOL23D SDF3D PDB3D PDBQT

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