1,2-dihydroacenaphthylene; 1,3,5-trinitrobenzene

Systemtic Name: 1,2-dihydroacenaphthylene; 1,3,5-trinitrobenzene Openeye Name: 1,2-dihydroacenaphthylene; 1,3,5-trinitrobenzene CAS Name: 1,2-dihydroacenaphthylene; 1,3,5-trinitrobenzene IUPAC Name: 1,2-dihydroacenaphthylene; 1,3,5-trinitrobenzene Traditional Name: acenaphthene; 1,3,5-trinitrobenzene Formula: C18H13N3O6 MolecularWeight: 367.31232

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=CC=CC3=C2C1=CC=C3.C1=C(C=C(C=C1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1CC2=CC=CC3=C2C1=CC=C3.C1=C(C=C(C=C1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C12H10.C6H3N3O6/c1-3-9-4-2-6-11-8-7-10(5-1)12(9)11;10-7(11)4-1-5(8(12)13)3-6(2-4)9(14)15/h1-6H,7-8H2;1-3H