5-chloranyl-2,4,6-trinitro-N1,N1,N3,N3-tetraoctyl-benzene-1,3-diamine

Systemtic Name: 5-chloranyl-2,4,6-trinitro-N1,N1,N3,N3-tetraoctyl-benzene-1,3-diamine Openeye Name: 5-chloro-2,4,6-trinitro-N1,N1,N3,N3-tetraoctyl-benzene-1,3-diamine CAS Name: 5-chloro-2,4,6-trinitro-N1,N1,N3,N3-tetraoctylbenzene-1,3-diamine IUPAC Name: 5-chloro-2,4,6-trinitro-1-N,1-N,3-N,3-N-tetraoctylbenzene-1,3-diamine Traditional Name: [3-chloro-5-(dioctylamino)-2,4,6-trinitro-phenyl]-dioctyl-amine Formula: C38H68ClN5O6 MolecularWeight: 726.42942

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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-])N(CCCCCCCC)CCCCCCCC)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C38H68ClN5O6/c1-5-9-13-17-21-25-29-40(30-26-22-18-14-10-6-2)36-34(42(45)46)33(39)35(43(47)48)37(38(36)44(49)50)41(31-27-23-19-15-11-7-3)32-28-24-20-16-12-8-4/h5-32H2,1-4H3