1-[(E)-3-oxidanylidenebut-1-enyl]pyridin-1-ium-3-olate; 2,4,6-trinitrophenolate

Systemtic Name: 1-[(E)-3-oxidanylidenebut-1-enyl]pyridin-1-ium-3-olate; 2,4,6-trinitrophenolate Openeye Name: 1-[(E)-3-oxobut-1-enyl]pyridin-1-ium-3-olate; 2,4,6-trinitrophenolate CAS Name: 1-[(E)-3-oxobut-1-enyl]-3-pyridin-1-iumolate; 2,4,6-trinitrophenolate IUPAC Name: 1-[(E)-3-oxobut-1-enyl]pyridin-1-ium-3-olate; 2,4,6-trinitrophenolate Traditional Name: 1-[(E)-3-ketobut-1-enyl]pyridin-1-ium-3-olate picrate Formula: C15H11N4O9- MolecularWeight: 391.26924

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H9NO2.C6H3N3O7/c1-8(11)4-6-10-5-2-3-9(12)7-10;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h2-7H,1H3;1-2,10H/p-1/b6-4+;