3,5-dideuterio-N-(3,5-ditert-butylphenyl)-2,4,6-trinitro-aniline

Systemtic Name: 3,5-dideuterio-N-(3,5-ditert-butylphenyl)-2,4,6-trinitro-aniline Openeye Name: 3,5-dideuterio-N-(3,5-ditert-butylphenyl)-2,4,6-trinitro-aniline CAS Name: 3,5-dideuterio-N-(3,5-ditert-butylphenyl)-2,4,6-trinitroaniline IUPAC Name: 3,5-dideuterio-N-(3,5-ditert-butylphenyl)-2,4,6-trinitroaniline Traditional Name: (3,5-ditert-butylphenyl)-(3,5-dideuterio-2,4,6-trinitro-phenyl)amine Formula: C20H24N4O6 MolecularWeight: 418.440084

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1)NC2=C(C=C(C=C2[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])C(C)(C)C

Isomeric SMILES

[2H]C1=C(C(=C(C(=C1[N+](=O)[O-])NC2=CC(=CC(=C2)C(C)(C)C)C(C)(C)C)[N+](=O)[O-])[2H])[N+](=O)[O-]

InChI

InChI=1S/C20H24N4O6/c1-19(2,3)12-7-13(20(4,5)6)9-14(8-12)21-18-16(23(27)28)10-15(22(25)26)11-17(18)24(29)30/h7-11,21H,1-6H3/i10D,11D