4-iodanyl-2,5,7-trinitro-fluoren-9-one; methylbenzene

Systemtic Name: 4-iodanyl-2,5,7-trinitro-fluoren-9-one; methylbenzene Openeye Name: 4-iodo-2,5,7-trinitro-fluoren-9-one; toluene CAS Name: 4-iodo-2,5,7-trinitro-9-fluorenone; toluene IUPAC Name: 4-iodo-2,5,7-trinitrofluoren-9-one; toluene Traditional Name: 4-iodo-2,5,7-trinitro-fluoren-9-one; toluene Formula: C20H12IN3O7 MolecularWeight: 533.22965

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1.C1=C(C=C2C(=C1[N+](=O)[O-])C3=C(C=C(C=C3C2=O)[N+](=O)[O-])I)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=CC=C1.C1=C(C=C2C(=C1[N+](=O)[O-])C3=C(C=C(C=C3C2=O)[N+](=O)[O-])I)[N+](=O)[O-]

InChI

InChI=1S/C13H4IN3O7.C7H8/c14-9-3-5(15(19)20)1-7-11(9)12-8(13(7)18)2-6(16(21)22)4-10(12)17(23)24;1-7-5-3-2-4-6-7/h1-4H;2-6H,1H3