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

Systemtic Name: 2-[2,4-dinitro-5-(2,4,6-trinitrophenyl)phenyl]-1,3,5-trinitro-benzene Openeye Name: 2-[2,4-dinitro-5-(2,4,6-trinitrophenyl)phenyl]-1,3,5-trinitro-benzene CAS Name: 2-[2,4-dinitro-5-(2,4,6-trinitrophenyl)phenyl]-1,3,5-trinitrobenzene IUPAC Name: 2-[2,4-dinitro-5-(2,4,6-trinitrophenyl)phenyl]-1,3,5-trinitrobenzene Traditional Name: 2-(2,4-dinitro-5-picryl-phenyl)-1,3,5-trinitro-benzene Formula: C18H6N8O16 MolecularWeight: 590.28424

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H6N8O16/c27-19(28)7-1-13(23(35)36)17(14(2-7)24(37)38)9-5-10(12(22(33)34)6-11(9)21(31)32)18-15(25(39)40)3-8(20(29)30)4-16(18)26(41)42/h1-6H