pyrene; 2,4,7-trinitrofluoren-9-one

Systemtic Name: pyrene; 2,4,7-trinitrofluoren-9-one Openeye Name: pyrene; 2,4,7-trinitrofluoren-9-one CAS Name: pyrene; 2,4,7-trinitro-9-fluorenone IUPAC Name: pyrene; 2,4,7-trinitrofluoren-9-one Traditional Name: pyrene; 2,4,7-trinitrofluoren-9-one Formula: C29H15N3O7 MolecularWeight: 517.4453

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C3C(=C1)C=CC4=CC=CC(=C43)C=C2.C1=CC2=C(C=C1[N+](=O)[O-])C(=O)C3=CC(=CC(=C23)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC2=C3C(=C1)C=CC4=CC=CC(=C43)C=C2.C1=CC2=C(C=C1[N+](=O)[O-])C(=O)C3=CC(=CC(=C23)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C16H10.C13H5N3O7/c1-3-11-7-9-13-5-2-6-14-10-8-12(4-1)15(11)16(13)14;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/h1-10H;1-5H