4-bromanyl-2,5,7-trinitro-fluoren-9-one; 1-(cyclohexen-1-yl)naphthalene

Systemtic Name: 4-bromanyl-2,5,7-trinitro-fluoren-9-one; 1-(cyclohexen-1-yl)naphthalene Openeye Name: 4-bromo-2,5,7-trinitro-fluoren-9-one; 1-(cyclohexen-1-yl)naphthalene CAS Name: 4-bromo-2,5,7-trinitro-9-fluorenone; 1-(1-cyclohexenyl)naphthalene IUPAC Name: 4-bromo-2,5,7-trinitrofluoren-9-one; 1-(cyclohexen-1-yl)naphthalene Traditional Name: 4-bromo-2,5,7-trinitro-fluoren-9-one; 1-(cyclohexen-1-yl)naphthalene Formula: C29H20BrN3O7 MolecularWeight: 602.389

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=CC1)C2=CC=CC3=CC=CC=C32.C1=C(C=C2C(=C1[N+](=O)[O-])C3=C(C=C(C=C3C2=O)[N+](=O)[O-])Br)[N+](=O)[O-]

Isomeric SMILES

C1CCC(=CC1)C2=CC=CC3=CC=CC=C32.C1=C(C=C2C(=C1[N+](=O)[O-])C3=C(C=C(C=C3C2=O)[N+](=O)[O-])Br)[N+](=O)[O-]

InChI

InChI=1S/C16H16.C13H4BrN3O7/c1-2-7-13(8-3-1)16-12-6-10-14-9-4-5-11-15(14)16;14-9-3-5(15(19)20)1-7-11(9)12-8(13(7)18)2-6(16(21)22)4-10(12)17(23)24/h4-7,9-12H,1-3,8H2;1-4H