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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C(=C1)C2=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=CC(=C(C(=C1)C2=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)10-4-15(28(40)41)22(16(5-10)29(42)43)13-2-1-3-14(23-17(30(44)45)6-11(26(36)37)7-18(23)31(46)47)21(13)24-19(32(48)49)8-12(27(38)39)9-20(24)33(50)51/h1-9H