4,4-diphenylbut-3-enyl-bis[(E)-hex-3-enyl]azanium nitrate

Systemtic Name: 4,4-diphenylbut-3-enyl-bis[(E)-hex-3-enyl]azanium nitrate Openeye Name: 4,4-diphenylbut-3-enyl-bis[(E)-hex-3-enyl]ammonium nitrate CAS Name: 4,4-diphenylbut-3-enyl-bis[(E)-hex-3-enyl]ammonium nitrate IUPAC Name: 4,4-diphenylbut-3-enyl-bis[(E)-hex-3-enyl]azanium nitrate Traditional Name: 4,4-diphenylbut-3-enyl-bis[(E)-hex-3-enyl]ammonium nitrate Formula: C28H38N2O3 MolecularWeight: 450.61292

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Descriptors Computed from Structure

Canonical SMILES:

CCC=CCC[NH+](CCC=CCC)CCC=C(C1=CC=CC=C1)C2=CC=CC=C2.[N+](=O)([O-])[O-]

Isomeric SMILES

CC/C=C/CC[NH+](CCC=C(C1=CC=CC=C1)C2=CC=CC=C2)CC/C=C/CC.[N+](=O)([O-])[O-]

InChI

InChI=1S/C28H37N.NO3/c1-3-5-7-15-23-29(24-16-8-6-4-2)25-17-22-28(26-18-11-9-12-19-26)27-20-13-10-14-21-27;2-1(3)4/h5-14,18-22H,3-4,15-17,23-25H2,1-2H3;/q;-1/p+1/b7-5+,8-6+;