sodium; 2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(19),15,17-triene; 2,4,6-trinitrophenolate

Systemtic Name: sodium; 2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(19),15,17-triene; 2,4,6-trinitrophenolate Openeye Name: sodium; 2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(19),15,17-triene; 2,4,6-trinitrophenolate CAS Name: sodium; 2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(19),15,17-triene; 2,4,6-trinitrophenolate IUPAC Name: sodium; 2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(19),15,17-triene; 2,4,6-trinitrophenolate Traditional Name: sodium 2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(19),15,17-triene picrate Formula: C20H22N3NaO12 MolecularWeight: 519.39135

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCOC2=CC=CC=C2OCCOCCO1.C1=C(C=C(C(=C1[N+](=O)[O-])[O-])[N+](=O)[O-])[N+](=O)[O-].[Na+]

Isomeric SMILES

C1COCCOC2=CC=CC=C2OCCOCCO1.C1=C(C=C(C(=C1[N+](=O)[O-])[O-])[N+](=O)[O-])[N+](=O)[O-].[Na+]

InChI

InChI=1S/C14H20O5.C6H3N3O7.Na/c1-2-4-14-13(3-1)18-11-9-16-7-5-15-6-8-17-10-12-19-14;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16;/h1-4H,5-12H2;1-2,10H;/q;;+1/p-1