2,5,7-trinitro-10-oxidanyl-10-(2-oxidanylidenepropyl)phenanthren-9-one

Systemtic Name: 2,5,7-trinitro-10-oxidanyl-10-(2-oxidanylidenepropyl)phenanthren-9-one Openeye Name: 10-acetonyl-10-hydroxy-2,5,7-trinitro-phenanthren-9-one CAS Name: 10-hydroxy-2,5,7-trinitro-10-(2-oxopropyl)-9-phenanthrenone IUPAC Name: 10-hydroxy-2,5,7-trinitro-10-(2-oxopropyl)phenanthren-9-one Traditional Name: 10-acetonyl-10-hydroxy-2,5,7-trinitro-phenanthren-9-one Formula: C17H11N3O9 MolecularWeight: 401.28394

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CC1(C2=C(C=CC(=C2)[N+](=O)[O-])C3=C(C=C(C=C3C1=O)[N+](=O)[O-])[N+](=O)[O-])O

Isomeric SMILES

CC(=O)CC1(C2=C(C=CC(=C2)[N+](=O)[O-])C3=C(C=C(C=C3C1=O)[N+](=O)[O-])[N+](=O)[O-])O

InChI

InChI=1S/C17H11N3O9/c1-8(21)7-17(23)13-5-9(18(24)25)2-3-11(13)15-12(16(17)22)4-10(19(26)27)6-14(15)20(28)29/h2-6,23H,7H2,1H3