1-phenethyl-3,4-dihydrophenanthrene; 1,3,5-trinitrobenzene

Systemtic Name: 1-phenethyl-3,4-dihydrophenanthrene; 1,3,5-trinitrobenzene Openeye Name: 1-phenethyl-3,4-dihydrophenanthrene; 1,3,5-trinitrobenzene CAS Name: 1-phenethyl-3,4-dihydrophenanthrene; 1,3,5-trinitrobenzene IUPAC Name: 1-phenethyl-3,4-dihydrophenanthrene; 1,3,5-trinitrobenzene Traditional Name: 1-phenethyl-3,4-dihydrophenanthrene; 1,3,5-trinitrobenzene Formula: C28H23N3O6 MolecularWeight: 497.49872

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C=CC3=CC=CC=C23)C(=C1)CCC4=CC=CC=C4.C1=C(C=C(C=C1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1CC2=C(C=CC3=CC=CC=C23)C(=C1)CCC4=CC=CC=C4.C1=C(C=C(C=C1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C22H20.C6H3N3O6/c1-2-7-17(8-3-1)13-14-19-10-6-12-22-20-11-5-4-9-18(20)15-16-21(19)22;10-7(11)4-1-5(8(12)13)3-6(2-4)9(14)15/h1-5,7-11,15-16H,6,12-14H2;1-3H