1-[bis(3,5-dimethyl-2,4-dinitro-phenyl)methyl]-3,5-dimethyl-2,4-dinitro-benzene

Systemtic Name: 1-[bis(3,5-dimethyl-2,4-dinitro-phenyl)methyl]-3,5-dimethyl-2,4-dinitro-benzene Openeye Name: 1-[bis(3,5-dimethyl-2,4-dinitro-phenyl)methyl]-3,5-dimethyl-2,4-dinitro-benzene CAS Name: 1-[bis(3,5-dimethyl-2,4-dinitrophenyl)methyl]-3,5-dimethyl-2,4-dinitrobenzene IUPAC Name: 1-[bis(3,5-dimethyl-2,4-dinitrophenyl)methyl]-3,5-dimethyl-2,4-dinitrobenzene Traditional Name: 1-[bis(3,5-dimethyl-2,4-dinitro-phenyl)methyl]-3,5-dimethyl-2,4-dinitro-benzene Formula: C25H22N6O12 MolecularWeight: 598.47518

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1[N+](=O)[O-])C)[N+](=O)[O-])C(C2=C(C(=C(C(=C2)C)[N+](=O)[O-])C)[N+](=O)[O-])C3=C(C(=C(C(=C3)C)[N+](=O)[O-])C)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C(=C1[N+](=O)[O-])C)[N+](=O)[O-])C(C2=C(C(=C(C(=C2)C)[N+](=O)[O-])C)[N+](=O)[O-])C3=C(C(=C(C(=C3)C)[N+](=O)[O-])C)[N+](=O)[O-]

InChI

InChI=1S/C25H22N6O12/c1-10-7-16(23(29(38)39)13(4)20(10)26(32)33)19(17-8-11(2)21(27(34)35)14(5)24(17)30(40)41)18-9-12(3)22(28(36)37)15(6)25(18)31(42)43/h7-9,19H,1-6H3