1-methylbenzo[c]phenanthrene; 1,3,5-trinitrobenzene

Systemtic Name: 1-methylbenzo[c]phenanthrene; 1,3,5-trinitrobenzene Openeye Name: 1-methylbenzo[c]phenanthrene; 1,3,5-trinitrobenzene CAS Name: 1-methylbenzo[c]phenanthrene; 1,3,5-trinitrobenzene IUPAC Name: 1-methylbenzo[c]phenanthrene; 1,3,5-trinitrobenzene Traditional Name: 1-methylbenzo[c]phenanthrene; 1,3,5-trinitrobenzene Formula: C25H17N3O6 MolecularWeight: 455.41898

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1C3=C(C=C2)C=CC4=CC=CC=C43.C1=C(C=C(C=C1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1=CC=CC2=C1C3=C(C=C2)C=CC4=CC=CC=C43.C1=C(C=C(C=C1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C19H14.C6H3N3O6/c1-13-5-4-7-15-11-12-16-10-9-14-6-2-3-8-17(14)19(16)18(13)15;10-7(11)4-1-5(8(12)13)3-6(2-4)9(14)15/h2-12H,1H3;1-3H