4-bromanyl-2,5,7-trinitro-fluoren-9-one; fluoranthene

Systemtic Name: 4-bromanyl-2,5,7-trinitro-fluoren-9-one; fluoranthene Openeye Name: 4-bromo-2,5,7-trinitro-fluoren-9-one; fluoranthene CAS Name: 4-bromo-2,5,7-trinitro-9-fluorenone; fluoranthene IUPAC Name: 4-bromo-2,5,7-trinitrofluoren-9-one; fluoranthene Traditional Name: 4-bromo-2,5,7-trinitro-fluoren-9-one; fluoranthene Formula: C29H14BrN3O7 MolecularWeight: 596.34136

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C3=CC=CC4=C3C2=CC=C4.C1=C(C=C2C(=C1[N+](=O)[O-])C3=C(C=C(C=C3C2=O)[N+](=O)[O-])Br)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C3=CC=CC4=C3C2=CC=C4.C1=C(C=C2C(=C1[N+](=O)[O-])C3=C(C=C(C=C3C2=O)[N+](=O)[O-])Br)[N+](=O)[O-]

InChI

InChI=1S/C16H10.C13H4BrN3O7/c1-2-8-13-12(7-1)14-9-3-5-11-6-4-10-15(13)16(11)14;14-9-3-5(15(19)20)1-7-11(9)12-8(13(7)18)2-6(16(21)22)4-10(12)17(23)24/h1-10H;1-4H