2-methylbenzo[c]phenanthrene; 2,4,7-trinitrofluoren-9-one

Systemtic Name: 2-methylbenzo[c]phenanthrene; 2,4,7-trinitrofluoren-9-one Openeye Name: 2-methylbenzo[c]phenanthrene; 2,4,7-trinitrofluoren-9-one CAS Name: 2-methylbenzo[c]phenanthrene; 2,4,7-trinitro-9-fluorenone IUPAC Name: 2-methylbenzo[c]phenanthrene; 2,4,7-trinitrofluoren-9-one Traditional Name: 2-methylbenzo[c]phenanthrene; 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=C(C=C1)C=CC3=C2C4=CC=CC=C4C=C3.C1=CC2=C(C=C1[N+](=O)[O-])C(=O)C3=CC(=CC(=C23)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1=CC2=C(C=C1)C=CC3=C2C4=CC=CC=C4C=C3.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/c1-13-6-7-15-9-11-16-10-8-14-4-2-3-5-17(14)19(16)18(15)12-13;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