1-fluoranyl-7-methyl-benzo[a]anthracene; 2,4,7-trinitrofluoren-9-one

Systemtic Name: 1-fluoranyl-7-methyl-benzo[a]anthracene; 2,4,7-trinitrofluoren-9-one Openeye Name: 1-fluoro-7-methyl-benzo[a]anthracene; 2,4,7-trinitrofluoren-9-one CAS Name: 1-fluoro-7-methylbenzo[a]anthracene; 2,4,7-trinitro-9-fluorenone IUPAC Name: 1-fluoro-7-methylbenzo[a]anthracene; 2,4,7-trinitrofluoren-9-one Traditional Name: 1-fluoro-7-methyl-benz[a]anthracene; 2,4,7-trinitrofluoren-9-one Formula: C32H18FN3O7 MolecularWeight: 575.499623

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C=CC3=C(C2=CC4=CC=CC=C14)C(=CC=C3)F.C1=CC2=C(C=C1[N+](=O)[O-])C(=O)C3=CC(=CC(=C23)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1=C2C=CC3=C(C2=CC4=CC=CC=C14)C(=CC=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/C19H13F.C13H5N3O7/c1-12-15-7-3-2-5-14(15)11-17-16(12)10-9-13-6-4-8-18(20)19(13)17;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/h2-11H,1H3;1-5H