8-fluoranylbenzo[a]anthracene; 2,4,7-trinitrofluoren-9-one

Systemtic Name: 8-fluoranylbenzo[a]anthracene; 2,4,7-trinitrofluoren-9-one Openeye Name: 8-fluorobenzo[a]anthracene; 2,4,7-trinitrofluoren-9-one CAS Name: 8-fluorobenzo[a]anthracene; 2,4,7-trinitro-9-fluorenone IUPAC Name: 8-fluorobenzo[a]anthracene; 2,4,7-trinitrofluoren-9-one Traditional Name: 8-fluorobenz[a]anthracene; 2,4,7-trinitrofluoren-9-one Formula: C31H16FN3O7 MolecularWeight: 561.473043

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC3=C2C=C4C=CC=C(C4=C3)F.C1=CC2=C(C=C1[N+](=O)[O-])C(=O)C3=CC(=CC(=C23)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C=CC3=C2C=C4C=CC=C(C4=C3)F.C1=CC2=C(C=C1[N+](=O)[O-])C(=O)C3=CC(=CC(=C23)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C18H11F.C13H5N3O7/c19-18-7-3-5-13-10-16-14(11-17(13)18)9-8-12-4-1-2-6-15(12)16;17-13-9-3-6(14(18)19)1-2-8(9)12-10(13)4-7(15(20)21)5-11(12)16(22)23/h1-11H;1-5H