(2S)-2-[(2S)-2-oxidanylpropyl]pyrrolidin-1-ium-1-carbaldehyde; 2,4,6-trinitrophenolate

Systemtic Name: (2S)-2-[(2S)-2-oxidanylpropyl]pyrrolidin-1-ium-1-carbaldehyde; 2,4,6-trinitrophenolate Openeye Name: (2S)-2-[(2S)-2-hydroxypropyl]pyrrolidin-1-ium-1-carbaldehyde; 2,4,6-trinitrophenolate CAS Name: (2S)-2-[(2S)-2-hydroxypropyl]-1-pyrrolidin-1-iumcarboxaldehyde; 2,4,6-trinitrophenolate IUPAC Name: (2S)-2-[(2S)-2-hydroxypropyl]pyrrolidin-1-ium-1-carbaldehyde; 2,4,6-trinitrophenolate Traditional Name: (2S)-2-[(2S)-2-hydroxypropyl]pyrrolidin-1-ium-1-carbaldehyde picrate Formula: C14H18N4O9 MolecularWeight: 386.31412

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1CCC[NH+]1C=O)O.C1=C(C=C(C(=C1[N+](=O)[O-])[O-])[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C[C@@H](C[C@@H]1CCC[NH+]1C=O)O.C1=C(C=C(C(=C1[N+](=O)[O-])[O-])[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C8H15NO2.C6H3N3O7/c1-7(11)5-8-3-2-4-9(8)6-10;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h6-8,11H,2-5H2,1H3;1-2,10H/t7-,8-;/m0./s1