3,6-dimethylphenanthrene; 2,4,7-trinitrofluoren-9-one

Systemtic Name: 3,6-dimethylphenanthrene; 2,4,7-trinitrofluoren-9-one Openeye Name: 3,6-dimethylphenanthrene; 2,4,7-trinitrofluoren-9-one CAS Name: 3,6-dimethylphenanthrene; 2,4,7-trinitro-9-fluorenone IUPAC Name: 3,6-dimethylphenanthrene; 2,4,7-trinitrofluoren-9-one Traditional Name: 3,6-dimethylphenanthrene; 2,4,7-trinitrofluoren-9-one Formula: C29H19N3O7 MolecularWeight: 521.47706

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C16H14.C13H5N3O7/c1-11-3-5-13-7-8-14-6-4-12(2)10-16(14)15(13)9-11;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/h3-10H,1-2H3;1-5H