1,3-dinitro-2,4-bis(2,3,4-trinitrophenyl)benzene

Systemtic Name: 1,3-dinitro-2,4-bis(2,3,4-trinitrophenyl)benzene Openeye Name: 1,3-dinitro-2,4-bis(2,3,4-trinitrophenyl)benzene CAS Name: 1,3-dinitro-2,4-bis(2,3,4-trinitrophenyl)benzene IUPAC Name: 1,3-dinitro-2,4-bis(2,3,4-trinitrophenyl)benzene Traditional Name: 1,3-dinitro-2,4-bis(2,3,4-trinitrophenyl)benzene Formula: C18H6N8O16 MolecularWeight: 590.28424

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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