bis(2-methyl-4,6-dinitro-phenyl) butanedioate

Systemtic Name: bis(2-methyl-4,6-dinitro-phenyl) butanedioate Openeye Name: bis(2-methyl-4,6-dinitro-phenyl) butanedioate CAS Name: butanedioic acid bis(2-methyl-4,6-dinitrophenyl) ester IUPAC Name: bis(2-methyl-4,6-dinitrophenyl) butanedioate Traditional Name: succinic acid bis(2-methyl-4,6-dinitro-phenyl) ester Formula: C18H14N4O12 MolecularWeight: 478.32336

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1OC(=O)CCC(=O)OC2=C(C=C(C=C2C)[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=CC(=C1OC(=O)CCC(=O)OC2=C(C=C(C=C2C)[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C18H14N4O12/c1-9-5-11(19(25)26)7-13(21(29)30)17(9)33-15(23)3-4-16(24)34-18-10(2)6-12(20(27)28)8-14(18)22(31)32/h5-8H,3-4H2,1-2H3