2,4,7-trinitro-10-oxidanyl-10-(2-oxidanylidenepropyl)phenanthren-9-one

Systemtic Name: 2,4,7-trinitro-10-oxidanyl-10-(2-oxidanylidenepropyl)phenanthren-9-one Openeye Name: 10-acetonyl-10-hydroxy-2,4,7-trinitro-phenanthren-9-one CAS Name: 10-hydroxy-2,4,7-trinitro-10-(2-oxopropyl)-9-phenanthrenone IUPAC Name: 10-hydroxy-2,4,7-trinitro-10-(2-oxopropyl)phenanthren-9-one Traditional Name: 10-acetonyl-10-hydroxy-2,4,7-trinitro-phenanthren-9-one Formula: C17H11N3O9 MolecularWeight: 401.28394

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CC1(C2=CC(=CC(=C2C3=C(C1=O)C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])O

Isomeric SMILES

CC(=O)CC1(C2=CC(=CC(=C2C3=C(C1=O)C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])O

InChI

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