1,1-diethyl-2-phenyl-5-[(E)-2-phenylethenyl]-2,3-dihydroindol-1-ium-6-amine; 2,4,6-trinitrophenol; iodide

Systemtic Name: 1,1-diethyl-2-phenyl-5-[(E)-2-phenylethenyl]-2,3-dihydroindol-1-ium-6-amine; 2,4,6-trinitrophenol; iodide Openeye Name: 1,1-diethyl-2-phenyl-5-[(E)-styryl]indolin-1-ium-6-amine; picric acid; iodide CAS Name: 1,1-diethyl-2-phenyl-5-[(E)-2-phenylethenyl]-2,3-dihydroindol-1-ium-6-amine; 2,4,6-trinitrophenol; iodide IUPAC Name: 1,1-diethyl-2-phenyl-5-[(E)-2-phenylethenyl]-2,3-dihydroindol-1-ium-6-amine; 2,4,6-trinitrophenol; iodide Traditional Name: [1,1-diethyl-2-phenyl-5-[(E)-styryl]indolin-1-ium-6-yl]amine; picric acid; iodide Formula: C32H32IN5O7 MolecularWeight: 725.53025

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1(C(CC2=C1C=C(C(=C2)C=CC3=CC=CC=C3)N)C4=CC=CC=C4)CC.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-].[I-]

Isomeric SMILES

CC[N+]1(C(CC2=C1C=C(C(=C2)/C=C/C3=CC=CC=C3)N)C4=CC=CC=C4)CC.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-].[I-]

InChI

InChI=1S/C26H29N2.C6H3N3O7.HI/c1-3-28(4-2)25(21-13-9-6-10-14-21)18-23-17-22(24(27)19-26(23)28)16-15-20-11-7-5-8-12-20;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16;/h5-17,19,25H,3-4,18,27H2,1-2H3;1-2,10H;1H/q+1;;/p-1/b16-15+;;