4-bromanylphenanthrene; 2,4,5-trinitrofluoren-9-one

Systemtic Name: 4-bromanylphenanthrene; 2,4,5-trinitrofluoren-9-one Openeye Name: 4-bromophenanthrene; 2,4,5-trinitrofluoren-9-one CAS Name: 4-bromophenanthrene; 2,4,5-trinitro-9-fluorenone IUPAC Name: 4-bromophenanthrene; 2,4,5-trinitrofluoren-9-one Traditional Name: 4-bromophenanthrene; 2,4,5-trinitrofluoren-9-one Formula: C27H14BrN3O7 MolecularWeight: 572.31996

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC3=C2C(=CC=C3)Br.C1=CC2=C(C(=C1)[N+](=O)[O-])C3=C(C=C(C=C3C2=O)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C=CC3=C2C(=CC=C3)Br.C1=CC2=C(C(=C1)[N+](=O)[O-])C3=C(C=C(C=C3C2=O)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C14H9Br.C13H5N3O7/c15-13-7-3-5-11-9-8-10-4-1-2-6-12(10)14(11)13;17-13-7-2-1-3-9(15(20)21)11(7)12-8(13)4-6(14(18)19)5-10(12)16(22)23/h1-9H;1-5H