N,N-dibutyl-4-(1,3-dithian-2-yl)-2,6-dinitro-aniline

Systemtic Name: N,N-dibutyl-4-(1,3-dithian-2-yl)-2,6-dinitro-aniline Openeye Name: N,N-dibutyl-4-(1,3-dithian-2-yl)-2,6-dinitro-aniline CAS Name: N,N-dibutyl-4-(1,3-dithian-2-yl)-2,6-dinitroaniline IUPAC Name: N,N-dibutyl-4-(1,3-dithian-2-yl)-2,6-dinitroaniline Traditional Name: dibutyl-[4-(1,3-dithian-2-yl)-2,6-dinitro-phenyl]amine Formula: C18H27N3O4S2 MolecularWeight: 413.55468

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CCCC)C1=C(C=C(C=C1[N+](=O)[O-])C2SCCCS2)[N+](=O)[O-]

Isomeric SMILES

CCCCN(CCCC)C1=C(C=C(C=C1[N+](=O)[O-])C2SCCCS2)[N+](=O)[O-]

InChI

InChI=1S/C18H27N3O4S2/c1-3-5-8-19(9-6-4-2)17-15(20(22)23)12-14(13-16(17)21(24)25)18-26-10-7-11-27-18/h12-13,18H,3-11H2,1-2H3