(3S,4R)-3-ethyl-4-[(3-methylimidazol-4-yl)methyl]oxolan-2-one; 2,4,6-trinitrophenol

Systemtic Name: (3S,4R)-3-ethyl-4-[(3-methylimidazol-4-yl)methyl]oxolan-2-one; 2,4,6-trinitrophenol Openeye Name: (3S,4R)-3-ethyl-4-[(3-methylimidazol-4-yl)methyl]tetrahydrofuran-2-one; picric acid CAS Name: (3S,4R)-3-ethyl-4-[(3-methyl-4-imidazolyl)methyl]-2-oxolanone; 2,4,6-trinitrophenol IUPAC Name: (3S,4R)-3-ethyl-4-[(3-methylimidazol-4-yl)methyl]oxolan-2-one; 2,4,6-trinitrophenol Traditional Name: (3S,4R)-3-ethyl-4-[(3-methylimidazol-4-yl)methyl]tetrahydrofuran-2-one; picric acid Formula: C17H19N5O9 MolecularWeight: 437.36086

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1C(COC1=O)CC2=CN=CN2C.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC[C@H]1[C@H](COC1=O)CC2=CN=CN2C.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C11H16N2O2.C6H3N3O7/c1-3-10-8(6-15-11(10)14)4-9-5-12-7-13(9)2;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h5,7-8,10H,3-4,6H2,1-2H3;1-2,10H/t8-,10-;/m0./s1