9-ethylanthracene; 1,3,5-trinitrobenzene

Systemtic Name: 9-ethylanthracene; 1,3,5-trinitrobenzene Openeye Name: 9-ethylanthracene; 1,3,5-trinitrobenzene CAS Name: 9-ethylanthracene; 1,3,5-trinitrobenzene IUPAC Name: 9-ethylanthracene; 1,3,5-trinitrobenzene Traditional Name: 9-ethylanthracene; 1,3,5-trinitrobenzene Formula: C22H17N3O6 MolecularWeight: 419.38688

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C2C=CC=CC2=CC3=CC=CC=C31.C1=C(C=C(C=C1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CCC1=C2C=CC=CC2=CC3=CC=CC=C31.C1=C(C=C(C=C1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C16H14.C6H3N3O6/c1-2-14-15-9-5-3-7-12(15)11-13-8-4-6-10-16(13)14;10-7(11)4-1-5(8(12)13)3-6(2-4)9(14)15/h3-11H,2H2,1H3;1-3H