4-(1-phenylprop-2-enyl)morpholin-4-ium; 2,4,6-trinitrophenol

Systemtic Name: 4-(1-phenylprop-2-enyl)morpholin-4-ium; 2,4,6-trinitrophenol Openeye Name: 4-(1-phenylallyl)morpholin-4-ium; picric acid CAS Name: 4-(1-phenylprop-2-enyl)morpholin-4-ium; 2,4,6-trinitrophenol IUPAC Name: 4-(1-phenylprop-2-enyl)morpholin-4-ium; 2,4,6-trinitrophenol Traditional Name: 4-(1-phenylallyl)morpholin-4-ium; picric acid Formula: C19H21N4O8+ MolecularWeight: 433.39204

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Descriptors Computed from Structure

Canonical SMILES:

C=CC(C1=CC=CC=C1)[NH+]2CCOCC2.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C=CC(C1=CC=CC=C1)[NH+]2CCOCC2.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C13H17NO.C6H3N3O7/c1-2-13(12-6-4-3-5-7-12)14-8-10-15-11-9-14;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h2-7,13H,1,8-11H2;1-2,10H/p+1