4-(3-butylphenyl)-2-phenyl-quinoline; 1,3,5-trinitrobenzene

Systemtic Name: 4-(3-butylphenyl)-2-phenyl-quinoline; 1,3,5-trinitrobenzene Openeye Name: 4-(3-butylphenyl)-2-phenyl-quinoline; 1,3,5-trinitrobenzene CAS Name: 4-(3-butylphenyl)-2-phenylquinoline; 1,3,5-trinitrobenzene IUPAC Name: 4-(3-butylphenyl)-2-phenylquinoline; 1,3,5-trinitrobenzene Traditional Name: 4-(3-butylphenyl)-2-phenyl-quinoline; 1,3,5-trinitrobenzene Formula: C31H26N4O6 MolecularWeight: 550.56134

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=CC(=C1)C2=CC(=NC3=CC=CC=C32)C4=CC=CC=C4.C1=C(C=C(C=C1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CCCCC1=CC=CC(=C1)C2=CC(=NC3=CC=CC=C32)C4=CC=CC=C4.C1=C(C=C(C=C1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C25H23N.C6H3N3O6/c1-2-3-10-19-11-9-14-21(17-19)23-18-25(20-12-5-4-6-13-20)26-24-16-8-7-15-22(23)24;10-7(11)4-1-5(8(12)13)3-6(2-4)9(14)15/h4-9,11-18H,2-3,10H2,1H3;1-3H