5-butyl-2-[(E)-2-phenylethenyl]pyridine; 2,4,6-trinitrophenol

Systemtic Name: 5-butyl-2-[(E)-2-phenylethenyl]pyridine; 2,4,6-trinitrophenol Openeye Name: 5-butyl-2-[(E)-styryl]pyridine; picric acid CAS Name: 5-butyl-2-[(E)-2-phenylethenyl]pyridine; 2,4,6-trinitrophenol IUPAC Name: 5-butyl-2-[(E)-2-phenylethenyl]pyridine; 2,4,6-trinitrophenol Traditional Name: 5-butyl-2-[(E)-styryl]pyridine; picric acid Formula: C23H22N4O7 MolecularWeight: 466.44338

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CN=C(C=C1)C=CC2=CC=CC=C2.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CCCCC1=CN=C(C=C1)/C=C/C2=CC=CC=C2.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C17H19N.C6H3N3O7/c1-2-3-7-16-11-13-17(18-14-16)12-10-15-8-5-4-6-9-15;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h4-6,8-14H,2-3,7H2,1H3;1-2,10H/b12-10+;