2-[3,5-bis(2,4,6-trinitrophenyl)phenyl]-1,3,5-trinitro-benzene

Systemtic Name: 2-[3,5-bis(2,4,6-trinitrophenyl)phenyl]-1,3,5-trinitro-benzene Openeye Name: 2-[3,5-bis(2,4,6-trinitrophenyl)phenyl]-1,3,5-trinitro-benzene CAS Name: 2-[3,5-bis(2,4,6-trinitrophenyl)phenyl]-1,3,5-trinitrobenzene IUPAC Name: 2-[3,5-bis(2,4,6-trinitrophenyl)phenyl]-1,3,5-trinitrobenzene Traditional Name: 2-(3,5-dipicrylphenyl)-1,3,5-trinitro-benzene Formula: C24H9N9O18 MolecularWeight: 711.37776

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C=C1C2=C(C=C(C=C2[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])C3=C(C=C(C=C3[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])C4=C(C=C(C=C4[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=C(C=C(C=C1C2=C(C=C(C=C2[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])C3=C(C=C(C=C3[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])C4=C(C=C(C=C4[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C24H9N9O18/c34-25(35)13-4-16(28(40)41)22(17(5-13)29(42)43)10-1-11(23-18(30(44)45)6-14(26(36)37)7-19(23)31(46)47)3-12(2-10)24-20(32(48)49)8-15(27(38)39)9-21(24)33(50)51/h1-9H