1-(2-bromanylpropyl)naphthalene; 1,3,5-trinitrobenzene

Systemtic Name: 1-(2-bromanylpropyl)naphthalene; 1,3,5-trinitrobenzene Openeye Name: 1-(2-bromopropyl)naphthalene; 1,3,5-trinitrobenzene CAS Name: 1-(2-bromopropyl)naphthalene; 1,3,5-trinitrobenzene IUPAC Name: 1-(2-bromopropyl)naphthalene; 1,3,5-trinitrobenzene Traditional Name: 1-(2-bromopropyl)naphthalene; 1,3,5-trinitrobenzene Formula: C19H16BrN3O6 MolecularWeight: 462.25084

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CC=CC2=CC=CC=C21)Br.C1=C(C=C(C=C1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC(CC1=CC=CC2=CC=CC=C21)Br.C1=C(C=C(C=C1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C13H13Br.C6H3N3O6/c1-10(14)9-12-7-4-6-11-5-2-3-8-13(11)12;10-7(11)4-1-5(8(12)13)3-6(2-4)9(14)15/h2-8,10H,9H2,1H3;1-3H