2,3-dinitro-1,4-bis(2,4,6-trinitrophenoxy)benzene

Systemtic Name: 2,3-dinitro-1,4-bis(2,4,6-trinitrophenoxy)benzene Openeye Name: 2,3-dinitro-1,4-bis(2,4,6-trinitrophenoxy)benzene CAS Name: 2,3-dinitro-1,4-bis(2,4,6-trinitrophenoxy)benzene IUPAC Name: 2,3-dinitro-1,4-bis(2,4,6-trinitrophenoxy)benzene Traditional Name: 2,3-dinitro-1,4-bis(2,4,6-trinitrophenoxy)benzene Formula: C18H6N8O18 MolecularWeight: 622.28304

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C(=C1OC2=C(C=C(C=C2[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])OC3=C(C=C(C=C3[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC(=C(C(=C1OC2=C(C=C(C=C2[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])OC3=C(C=C(C=C3[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C18H6N8O18/c27-19(28)7-3-9(21(31)32)17(10(4-7)22(33)34)43-13-1-2-14(16(26(41)42)15(13)25(39)40)44-18-11(23(35)36)5-8(20(29)30)6-12(18)24(37)38/h1-6H