3,5-bis(chloranyl)-2,4,6-trinitro-N,N-dioctyl-aniline

Systemtic Name: 3,5-bis(chloranyl)-2,4,6-trinitro-N,N-dioctyl-aniline Openeye Name: 3,5-dichloro-2,4,6-trinitro-N,N-dioctyl-aniline CAS Name: 3,5-dichloro-2,4,6-trinitro-N,N-dioctylaniline IUPAC Name: 3,5-dichloro-2,4,6-trinitro-N,N-dioctylaniline Traditional Name: (3,5-dichloro-2,4,6-trinitro-phenyl)-dioctyl-amine Formula: C22H34Cl2N4O6 MolecularWeight: 521.43456

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCN(CCCCCCCC)C1=C(C(=C(C(=C1[N+](=O)[O-])Cl)[N+](=O)[O-])Cl)[N+](=O)[O-]

Isomeric SMILES

CCCCCCCCN(CCCCCCCC)C1=C(C(=C(C(=C1[N+](=O)[O-])Cl)[N+](=O)[O-])Cl)[N+](=O)[O-]

InChI

InChI=1S/C22H34Cl2N4O6/c1-3-5-7-9-11-13-15-25(16-14-12-10-8-6-4-2)22-20(27(31)32)17(23)19(26(29)30)18(24)21(22)28(33)34/h3-16H2,1-2H3