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

Systemtic Name: 4-bromanyl-2,5,7-trinitro-fluoren-9-one; chrysene Openeye Name: 4-bromo-2,5,7-trinitro-fluoren-9-one; chrysene CAS Name: 4-bromo-2,5,7-trinitro-9-fluorenone; chrysene IUPAC Name: 4-bromo-2,5,7-trinitrofluoren-9-one; chrysene Traditional Name: 4-bromo-2,5,7-trinitro-fluoren-9-one; chrysene Formula: C31H16BrN3O7 MolecularWeight: 622.37864

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC3=C2C=CC4=CC=CC=C43.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)C=CC3=C2C=CC4=CC=CC=C43.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/C18H12.C13H4BrN3O7/c1-3-7-15-13(5-1)9-11-18-16-8-4-2-6-14(16)10-12-17(15)18;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/h1-12H;1-4H