6-methylbenzo[a]anthracene; 2,4,7-trinitrofluoren-9-one

Systemtic Name: 6-methylbenzo[a]anthracene; 2,4,7-trinitrofluoren-9-one Openeye Name: 6-methylbenzo[a]anthracene; 2,4,7-trinitrofluoren-9-one CAS Name: 6-methylbenzo[a]anthracene; 2,4,7-trinitro-9-fluorenone IUPAC Name: 6-methylbenzo[a]anthracene; 2,4,7-trinitrofluoren-9-one Traditional Name: 6-methylbenz[a]anthracene; 2,4,7-trinitrofluoren-9-one Formula: C32H19N3O7 MolecularWeight: 557.50916

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=CC=CC=C2C3=CC4=CC=CC=C4C=C13.C1=CC2=C(C=C1[N+](=O)[O-])C(=O)C3=CC(=CC(=C23)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1=CC2=CC=CC=C2C3=CC4=CC=CC=C4C=C13.C1=CC2=C(C=C1[N+](=O)[O-])C(=O)C3=CC(=CC(=C23)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C19H14.C13H5N3O7/c1-13-10-16-8-4-5-9-17(16)19-12-15-7-3-2-6-14(15)11-18(13)19;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/h2-12H,1H3;1-5H