1-[(E)-2-(2,4,6-trinitrophenyl)ethenyl]pyrene

Systemtic Name: 1-[(E)-2-(2,4,6-trinitrophenyl)ethenyl]pyrene Openeye Name: 1-[(E)-2-(2,4,6-trinitrophenyl)vinyl]pyrene CAS Name: 1-[(E)-2-(2,4,6-trinitrophenyl)ethenyl]pyrene IUPAC Name: 1-[(E)-2-(2,4,6-trinitrophenyl)ethenyl]pyrene Traditional Name: 1-[(E)-2-picrylvinyl]pyrene Formula: C24H13N3O6 MolecularWeight: 439.37652

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C3C(=C1)C=CC4=C(C=CC(=C43)C=C2)C=CC5=C(C=C(C=C5[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC2=C3C(=C1)C=CC4=C(C=CC(=C43)C=C2)/C=C/C5=C(C=C(C=C5[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C24H13N3O6/c28-25(29)18-12-21(26(30)31)20(22(13-18)27(32)33)11-8-14-4-5-17-7-6-15-2-1-3-16-9-10-19(14)24(17)23(15)16/h1-13H/b11-8+