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

Systemtic Name: 1-[bis(5-methyl-2,4-dinitro-phenyl)methyl]-5-methyl-2,4-dinitro-benzene Openeye Name: 1-[bis(5-methyl-2,4-dinitro-phenyl)methyl]-5-methyl-2,4-dinitro-benzene CAS Name: 1-[bis(5-methyl-2,4-dinitrophenyl)methyl]-5-methyl-2,4-dinitrobenzene IUPAC Name: 1-[bis(5-methyl-2,4-dinitrophenyl)methyl]-5-methyl-2,4-dinitrobenzene Traditional Name: 1-[bis(5-methyl-2,4-dinitro-phenyl)methyl]-5-methyl-2,4-dinitro-benzene Formula: C22H16N6O12 MolecularWeight: 556.39544

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H16N6O12/c1-10-4-13(19(26(35)36)7-16(10)23(29)30)22(14-5-11(2)17(24(31)32)8-20(14)27(37)38)15-6-12(3)18(25(33)34)9-21(15)28(39)40/h4-9,22H,1-3H3